2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide

C66H96BrN17O7 — CID 158469120

IUPAC2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C)cc(Br)n1.CCc1cc(C(=O)N(C)C)cc(NC)n1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(C(=O)N(C)C)cc(C(C)C)n1.CNc1cc(C(=O)N(C)C)cc(OC)n1
InChIInChI=1S/2C12H19N3O.C11H13N3O.C11H17N3O.C10H13BrN2O.C10H15N3O2/c1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-8(2)10-6-9(12(16)15(4)5)7-11(13-3)14-10;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-5-9-6-8(11(15)14(3)4)7-10(12-2)13-9;1-4-8-5-7(6-9(11)12-8)10(14)13(2)3;1-11-8-5-7(10(14)13(2)3)6-9(12-8)15-4/h8-9,13H,3-7H2,1-2H3;6-8H,1-5H3,(H,13,14);4-6H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,12,13);5-6H,4H2,1-3H3;5-6H,1-4H3,(H,11,12)
InChIKeyHGCZMTHPHOHWEK-UHFFFAOYSA-N
MW1319.51 g/mol
LogP10.46
Rot. Bonds16

About 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide

2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide (PubChem CID 158469120) has the molecular formula C66H96BrN17O7 and a molecular weight of 1319.51 g/mol. Its IUPAC name is 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide
PubChem CID158469120
Molecular FormulaC66H96BrN17O7
Molecular Weight1319.51 g/mol
Exact Mass1317.69
IUPAC Name2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide
SMILESCCc1cc(C(=O)N(C)C)cc(Br)n1.CCc1cc(C(=O)N(C)C)cc(NC)n1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(C(=O)N(C)C)cc(C(C)C)n1.CNc1cc(C(=O)N(C)C)cc(OC)n1
InChIInChI=1S/2C12H19N3O.C11H13N3O.C11H17N3O.C10H13BrN2O.C10H15N3O2/c1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-8(2)10-6-9(12(16)15(4)5)7-11(13-3)14-10;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-5-9-6-8(11(15)14(3)4)7-10(12-2)13-9;1-4-8-5-7(6-9(11)12-8)10(14)13(2)3;1-11-8-5-7(10(14)13(2)3)6-9(12-8)15-4/h8-9,13H,3-7H2,1-2H3;6-8H,1-5H3,(H,13,14);4-6H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,12,13);5-6H,4H2,1-3H3;5-6H,1-4H3,(H,11,12)
InChIKeyHGCZMTHPHOHWEK-UHFFFAOYSA-N
XLogP10.46
TPSA266.34 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms91
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001319.51
LogP ≤ 510.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide (CID 158469120) is 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide is CCc1cc(C(=O)N(C)C)cc(Br)n1.CCc1cc(C(=O)N(C)C)cc(NC)n1.CCn1cc(NC)cc1C(=O)N1CCCC1.CNc1cc(-c2c(C)noc2C)ccn1.CNc1cc(C(=O)N(C)C)cc(C(C)C)n1.CNc1cc(C(=O)N(C)C)cc(OC)n1.
What is the InChIKey of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is HGCZMTHPHOHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H19N3O.C11H13N3O.C11H17N3O.C10H13BrN2O.C10H15N3O2/c1-3-14-9-10(13-2)8-11(14)12(16)15-6-4-5-7-15;1-8(2)10-6-9(12(16)15(4)5)7-11(13-3)14-10;1-7-11(8(2)15-14-7)9-4-5-13-10(6-9)12-3;1-5-9-6-8(11(15)14(3)4)7-10(12-2)13-9;1-4-8-5-7(6-9(11)12-8)10(14)13(2)3;1-11-8-5-7(10(14)13(2)3)6-9(12-8)15-4/h8-9,13H,3-7H2,1-2H3;6-8H,1-5H3,(H,13,14);4-6H,1-3H3,(H,12,13);6-7H,5H2,1-4H3,(H,12,13);5-6H,4H2,1-3H3;5-6H,1-4H3,(H,11,12).
What are the key properties of 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide?
2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 1319.51 g/mol, XLogP of 10.46, 16 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethyl-N,N-dimethylpyridine-4-carboxamide;N,N-dimethyl-2-(methylamino)-6-propan-2-ylpyridine-4-carboxamide;4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyridin-2-amine;2-ethyl-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide;[1-ethyl-4-(methylamino)pyrrol-2-yl]-pyrrolidin-1-ylmethanone;2-methoxy-N,N-dimethyl-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 158469120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).