2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

C34H38N12O5 — CID 157477618

IUPAC2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCC(C)n1cnnc1-c1cccc(N)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncccc1C(=O)O
InChIInChI=1S/C17H18N6O2.C10H13N5.C7H7NO3/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11-6-5(7(9)10)3-2-4-8-6/h4-11H,1-3H3,(H,20,21,24);3-7H,1-2H3,(H2,11,13);2-4H,1H3,(H,9,10)
InChIKeyBVTYSDXNOQEKTL-UHFFFAOYSA-N
MW694.76 g/mol
LogP4.87
Rot. Bonds9

About 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine

2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (PubChem CID 157477618) has the molecular formula C34H38N12O5 and a molecular weight of 694.76 g/mol. Its IUPAC name is 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
PubChem CID157477618
Molecular FormulaC34H38N12O5
Molecular Weight694.76 g/mol
Exact Mass694.31
IUPAC Name2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine
SMILESCC(C)n1cnnc1-c1cccc(N)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncccc1C(=O)O
InChIInChI=1S/C17H18N6O2.C10H13N5.C7H7NO3/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11-6-5(7(9)10)3-2-4-8-6/h4-11H,1-3H3,(H,20,21,24);3-7H,1-2H3,(H2,11,13);2-4H,1H3,(H,9,10)
InChIKeyBVTYSDXNOQEKTL-UHFFFAOYSA-N
XLogP4.87
TPSA223.86 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.76
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine with MolForge

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Related Compounds

Ask1-IN-6
CID 153384510
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384514
2-methoxy-5-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 153384518
US11897898, Example 4
CID 146396327
US11897898, Example 17
CID 146396364
2-methoxy-5-[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]pyridine-3-carboxylic acid
CID 146559621
US11897898, Example 41
CID 146396212
US11897898, Example 42
CID 146396217
2-[4-[3-(6-Aminopyridin-2-yl)-1,2,4-triazol-4-yl]pentoxy]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 146381516
Methyl 2-[4-[3-(6-formamidopyridin-2-yl)-1,2,4-triazol-4-yl]pentoxy]-5-(trifluoromethyl)pyridine-3-carboxylate
CID 146381517
7-Methyl-15-(trifluoromethyl)-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 146396228
(7S)-7-methyl-15-[3-(trifluoromethyl)pyrazol-1-yl]-11-oxa-3,4,6,13,19,24-hexazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 146396332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
The IUPAC name of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine (CID 157477618) is 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is CC(C)n1cnnc1-c1cccc(N)n1.COc1ncccc1C(=O)Nc1cccc(-c2nncn2C(C)C)n1.COc1ncccc1C(=O)O.
What is the InChIKey of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
The InChIKey is BVTYSDXNOQEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2.C10H13N5.C7H7NO3/c1-11(2)23-10-19-22-15(23)13-7-4-8-14(20-13)21-16(24)12-6-5-9-18-17(12)25-3;1-7(2)15-6-12-14-10(15)8-4-3-5-9(11)13-8;1-11-6-5(7(9)10)3-2-4-8-6/h4-11H,1-3H3,(H,20,21,24);3-7H,1-2H3,(H2,11,13);2-4H,1H3,(H,9,10).
What are the key properties of 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine?
2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine has a molecular weight of 694.76 g/mol, XLogP of 4.87, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyridine-3-carboxamide;2-methoxypyridine-3-carboxylic acid;6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 157477618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).