N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

C85H97F6N23O10S — CID 157104122

IUPACN,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)cc(C)nc1C.CNC(=O)c1c(C)ccnc1C.CNC(=O)c1c(C)noc1C.CNC(=O)c1ccnc2ccccc12.CNC(=O)c1cnc2cc(C)nn2c1C.CNC(=O)c1cncnc1C(F)(F)F.CNC(=O)c1nccc2ccccc12.CNC(=O)c1nn(-c2ccccc2)nc1C.CNC(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C11H12N4O.2C11H10N2O.C10H11F3N2O.C10H12N4O.C9H14N2OS.C9H12N2O.C7H6F3N3O.C7H10N2O2/c1-8-10(11(16)12-2)14-15(13-8)9-6-4-3-5-7-9;1-12-11(14)9-6-7-13-10-5-3-2-4-8(9)10;1-12-11(14)10-9-5-3-2-4-8(9)6-7-13-10;1-5-4-7(10(11,12)13)8(6(2)15-5)9(16)14-3;1-6-4-9-12-5-8(10(15)11-3)7(2)14(9)13-6;1-5(2)9-11-6(3)7(13-9)8(12)10-4;1-6-4-5-11-7(2)8(6)9(12)10-3;1-11-6(14)4-2-12-3-13-5(4)7(8,9)10;1-4-6(7(10)8-3)5(2)11-9-4/h3-7H,1-2H3,(H,12,16);2*2-7H,1H3,(H,12,14);4H,1-3H3,(H,14,16);4-5H,1-3H3,(H,11,15);5H,1-4H3,(H,10,12);4-5H,1-3H3,(H,10,12);2-3H,1H3,(H,11,14);1-3H3,(H,8,10)
InChIKeyAGCKTRILAIXODO-UHFFFAOYSA-N
MW1746.92 g/mol
LogP11.41
Rot. Bonds11

About N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide

N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 157104122) has the molecular formula C85H97F6N23O10S and a molecular weight of 1746.92 g/mol. Its IUPAC name is N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID157104122
Molecular FormulaC85H97F6N23O10S
Molecular Weight1746.92 g/mol
Exact Mass1745.74
IUPAC NameN,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCNC(=O)c1c(C(F)(F)F)cc(C)nc1C.CNC(=O)c1c(C)ccnc1C.CNC(=O)c1c(C)noc1C.CNC(=O)c1ccnc2ccccc12.CNC(=O)c1cnc2cc(C)nn2c1C.CNC(=O)c1cncnc1C(F)(F)F.CNC(=O)c1nccc2ccccc12.CNC(=O)c1nn(-c2ccccc2)nc1C.CNC(=O)c1sc(C(C)C)nc1C
InChIInChI=1S/C11H12N4O.2C11H10N2O.C10H11F3N2O.C10H12N4O.C9H14N2OS.C9H12N2O.C7H6F3N3O.C7H10N2O2/c1-8-10(11(16)12-2)14-15(13-8)9-6-4-3-5-7-9;1-12-11(14)9-6-7-13-10-5-3-2-4-8(9)10;1-12-11(14)10-9-5-3-2-4-8(9)6-7-13-10;1-5-4-7(10(11,12)13)8(6(2)15-5)9(16)14-3;1-6-4-9-12-5-8(10(15)11-3)7(2)14(9)13-6;1-5(2)9-11-6(3)7(13-9)8(12)10-4;1-6-4-5-11-7(2)8(6)9(12)10-3;1-11-6(14)4-2-12-3-13-5(4)7(8,9)10;1-4-6(7(10)8-3)5(2)11-9-4/h3-7H,1-2H3,(H,12,16);2*2-7H,1H3,(H,12,14);4H,1-3H3,(H,14,16);4-5H,1-3H3,(H,11,15);5H,1-4H3,(H,10,12);4-5H,1-3H3,(H,10,12);2-3H,1H3,(H,11,14);1-3H3,(H,8,10)
InChIKeyAGCKTRILAIXODO-UHFFFAOYSA-N
XLogP11.41
TPSA439.06 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds11
Heavy Atoms125
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001746.92
LogP ≤ 511.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 157104122) is N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide is CNC(=O)c1c(C(F)(F)F)cc(C)nc1C.CNC(=O)c1c(C)ccnc1C.CNC(=O)c1c(C)noc1C.CNC(=O)c1ccnc2ccccc12.CNC(=O)c1cnc2cc(C)nn2c1C.CNC(=O)c1cncnc1C(F)(F)F.CNC(=O)c1nccc2ccccc12.CNC(=O)c1nn(-c2ccccc2)nc1C.CNC(=O)c1sc(C(C)C)nc1C.
What is the InChIKey of N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AGCKTRILAIXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O.2C11H10N2O.C10H11F3N2O.C10H12N4O.C9H14N2OS.C9H12N2O.C7H6F3N3O.C7H10N2O2/c1-8-10(11(16)12-2)14-15(13-8)9-6-4-3-5-7-9;1-12-11(14)9-6-7-13-10-5-3-2-4-8(9)10;1-12-11(14)10-9-5-3-2-4-8(9)6-7-13-10;1-5-4-7(10(11,12)13)8(6(2)15-5)9(16)14-3;1-6-4-9-12-5-8(10(15)11-3)7(2)14(9)13-6;1-5(2)9-11-6(3)7(13-9)8(12)10-4;1-6-4-5-11-7(2)8(6)9(12)10-3;1-11-6(14)4-2-12-3-13-5(4)7(8,9)10;1-4-6(7(10)8-3)5(2)11-9-4/h3-7H,1-2H3,(H,12,16);2*2-7H,1H3,(H,12,14);4H,1-3H3,(H,14,16);4-5H,1-3H3,(H,11,15);5H,1-4H3,(H,10,12);4-5H,1-3H3,(H,10,12);2-3H,1H3,(H,11,14);1-3H3,(H,8,10).
What are the key properties of N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 1746.92 g/mol, XLogP of 11.41, 11 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-phenyltriazole-4-carboxamide;N,4-dimethyl-2-propan-2-yl-1,3-thiazole-5-carboxamide;N-methylisoquinoline-1-carboxamide;N-methylquinoline-4-carboxamide;N-methyl-4-(trifluoromethyl)pyrimidine-5-carboxamide;N,3,5-trimethyl-1,2-oxazole-4-carboxamide;N,2,7-trimethylpyrazolo[1,5-a]pyrimidine-6-carboxamide;N,2,4-trimethylpyridine-3-carboxamide;N,2,6-trimethyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 157104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).