N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine

C109H162F3N17O18S4 — CID 158532471

IUPACN-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine
SMILESCC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(OCCF)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCNC(=O)c1cc(C(C)C)cnc1C.CCNC(=O)c1cc(C(C)C)cnc1OC.CCOc1cc(C(C)C)cnc1OC.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H15N3O2.C12H18N2O2.C12H18N2O.C12H19NO2S.C11H18N2O3S.C11H18N2O2S.C11H17NO2.C10H14FNO.C9H12F2N2O.C9H13NO2S/c1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-5-13-11(15)10-6-9(8(2)3)7-14-12(10)16-4;1-5-13-12(15)11-6-10(8(2)3)7-14-9(11)4;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-8(2)9-6-10(11(16-5)12-7-9)17(14,15)13(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-5-14-10-6-9(8(2)3)7-12-11(10)13-4;1-8(2)9-5-10(7-12-6-9)13-4-3-11;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h6-8H,5H2,1-3H3,(H,14,16);6-8H,5H2,1-4H3,(H,13,15);6-8H,5H2,1-4H3,(H,13,15);5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;5-7,9H,8H2,1-4H3;6-8H,5H2,1-4H3;5-8H,3-4H2,1-2H3;3-5,9H,1-2H3,(H2,12,13);4-7H,1-3H3
InChIKeyHNNPKWADJBXIIB-UHFFFAOYSA-N
MW2183.86 g/mol
LogP20.44
Rot. Bonds36

About N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine

N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine (PubChem CID 158532471) has the molecular formula C109H162F3N17O18S4 and a molecular weight of 2183.86 g/mol. Its IUPAC name is N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine.

Molecular Properties

Compound NameN-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine
PubChem CID158532471
Molecular FormulaC109H162F3N17O18S4
Molecular Weight2183.86 g/mol
Exact Mass2182.11
IUPAC NameN-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine
SMILESCC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(OCCF)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCNC(=O)c1cc(C(C)C)cnc1C.CCNC(=O)c1cc(C(C)C)cnc1OC.CCOc1cc(C(C)C)cnc1OC.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H15N3O2.C12H18N2O2.C12H18N2O.C12H19NO2S.C11H18N2O3S.C11H18N2O2S.C11H17NO2.C10H14FNO.C9H12F2N2O.C9H13NO2S/c1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-5-13-11(15)10-6-9(8(2)3)7-14-12(10)16-4;1-5-13-12(15)11-6-10(8(2)3)7-14-9(11)4;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-8(2)9-6-10(11(16-5)12-7-9)17(14,15)13(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-5-14-10-6-9(8(2)3)7-12-11(10)13-4;1-8(2)9-5-10(7-12-6-9)13-4-3-11;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h6-8H,5H2,1-3H3,(H,14,16);6-8H,5H2,1-4H3,(H,13,15);6-8H,5H2,1-4H3,(H,13,15);5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;5-7,9H,8H2,1-4H3;6-8H,5H2,1-4H3;5-8H,3-4H2,1-2H3;3-5,9H,1-2H3,(H2,12,13);4-7H,1-3H3
InChIKeyHNNPKWADJBXIIB-UHFFFAOYSA-N
XLogP20.44
TPSA473.66 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002183.86
LogP ≤ 520.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine?
The IUPAC name of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine (CID 158532471) is N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine.
What is the SMILES notation for N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine?
The canonical SMILES for N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine is CC(C)c1cnc(N)c(OC(F)F)c1.CC(C)c1cncc(CS(=O)(=O)C(C)C)c1.CC(C)c1cncc(CS(=O)(=O)N(C)C)c1.CC(C)c1cncc(OCCF)c1.CC(C)c1cncc(S(C)(=O)=O)c1.CCNC(=O)c1cc(C(C)C)cnc1C.CCNC(=O)c1cc(C(C)C)cnc1OC.CCOc1cc(C(C)C)cnc1OC.COc1ncc(C(C)C)cc1C(=O)NCC#N.COc1ncc(C(C)C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine?
The InChIKey is HNNPKWADJBXIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2.C12H18N2O2.C12H18N2O.C12H19NO2S.C11H18N2O3S.C11H18N2O2S.C11H17NO2.C10H14FNO.C9H12F2N2O.C9H13NO2S/c1-8(2)9-6-10(11(16)14-5-4-13)12(17-3)15-7-9;1-5-13-11(15)10-6-9(8(2)3)7-14-12(10)16-4;1-5-13-12(15)11-6-10(8(2)3)7-14-9(11)4;1-9(2)12-5-11(6-13-7-12)8-16(14,15)10(3)4;1-8(2)9-6-10(11(16-5)12-7-9)17(14,15)13(3)4;1-9(2)11-5-10(6-12-7-11)8-16(14,15)13(3)4;1-5-14-10-6-9(8(2)3)7-12-11(10)13-4;1-8(2)9-5-10(7-12-6-9)13-4-3-11;1-5(2)6-3-7(14-9(10)11)8(12)13-4-6;1-7(2)8-4-9(6-10-5-8)13(3,11)12/h6-8H,5H2,1-3H3,(H,14,16);6-8H,5H2,1-4H3,(H,13,15);6-8H,5H2,1-4H3,(H,13,15);5-7,9-10H,8H2,1-4H3;6-8H,1-5H3;5-7,9H,8H2,1-4H3;6-8H,5H2,1-4H3;5-8H,3-4H2,1-2H3;3-5,9H,1-2H3,(H2,12,13);4-7H,1-3H3.
What are the key properties of N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine?
N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine has a molecular weight of 2183.86 g/mol, XLogP of 20.44, 36 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;3-(difluoromethoxy)-5-propan-2-ylpyridin-2-amine;N,N-dimethyl-1-(5-propan-2-yl-3-pyridinyl)methanesulfonamide;3-ethoxy-2-methoxy-5-propan-2-ylpyridine;N-ethyl-2-methoxy-5-propan-2-ylpyridine-3-carboxamide;N-ethyl-2-methyl-5-propan-2-ylpyridine-3-carboxamide;3-(2-fluoroethoxy)-5-propan-2-ylpyridine;2-methoxy-N,N-dimethyl-5-propan-2-ylpyridine-3-sulfonamide;3-methylsulfonyl-5-propan-2-ylpyridine;3-propan-2-yl-5-(propan-2-ylsulfonylmethyl)pyridine is sourced from PubChem (CID 158532471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).