2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide

C20H23N7O — CID 70816192

IUPAC2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
SMILESCCc1nc(Nc2cc(C(=O)Nc3ccccc3)ccn2)nc(NC(C)C)n1
InChIInChI=1S/C20H23N7O/c1-4-16-24-19(22-13(2)3)27-20(25-16)26-17-12-14(10-11-21-17)18(28)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,23,28)(H2,21,22,24,25,26,27)
InChIKeyIICRPRZSTYSXGY-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.65
Rot. Bonds7

About 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide

2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide (PubChem CID 70816192) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
PubChem CID70816192
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
SMILESCCc1nc(Nc2cc(C(=O)Nc3ccccc3)ccn2)nc(NC(C)C)n1
InChIInChI=1S/C20H23N7O/c1-4-16-24-19(22-13(2)3)27-20(25-16)26-17-12-14(10-11-21-17)18(28)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,23,28)(H2,21,22,24,25,26,27)
InChIKeyIICRPRZSTYSXGY-UHFFFAOYSA-N
XLogP3.65
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide with MolForge

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Related Compounds

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
2-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
N-(4-bromophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170171
2-(3-ethylanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 46283332
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-prop-2-enylpyridine-4-carboxamide
CID 88995125
2-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 109176900
N-(4-acetylphenyl)-2-(2-propan-2-ylanilino)pyridine-4-carboxamide
CID 109177061
N-benzhydryl-2-(propan-2-ylamino)pyridine-4-carboxamide
CID 84574553
2-anilino-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176138
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
2-(butan-2-ylamino)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109165938

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide (CID 70816192) is 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide is CCc1nc(Nc2cc(C(=O)Nc3ccccc3)ccn2)nc(NC(C)C)n1.
What is the InChIKey of 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
The InChIKey is IICRPRZSTYSXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-4-16-24-19(22-13(2)3)27-20(25-16)26-17-12-14(10-11-21-17)18(28)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H,23,28)(H2,21,22,24,25,26,27).
What are the key properties of 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide?
2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 70816192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).