N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide

C21H20N6O — CID 71828124

IUPACN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H20N6O/c1-13(2)11-19-24-21(27-26-19)25-20(28)15-12-18(17-9-5-6-10-22-17)23-16-8-4-3-7-14(15)16/h3-10,12-13H,11H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyGHCZGQDJPNRUQO-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.87
Rot. Bonds5

About N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide

N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 71828124) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID71828124
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC NameN-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCC(C)Cc1nc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n[nH]1
InChIInChI=1S/C21H20N6O/c1-13(2)11-19-24-21(27-26-19)25-20(28)15-12-18(17-9-5-6-10-22-17)23-16-8-4-3-7-14(15)16/h3-10,12-13H,11H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyGHCZGQDJPNRUQO-UHFFFAOYSA-N
XLogP3.87
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 4793520
N'-(4-methylpentanoyl)-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 26775333
N-ethyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 17473754
N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 46975748
N-(2,5-difluorophenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798209
methyl 4-[(2-pyridin-2-ylquinoline-4-carbonyl)amino]benzoate
CID 2220860
N-(4-carbamoylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 26636560
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 71701499
7-fluoro-N-(2-methylpropyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 39349561
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102
2-pyridin-2-yl-N-(1-pyridin-3-ylethyl)quinoline-4-carboxamide
CID 24619819
N-cyclopropyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 757672

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide (CID 71828124) is N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide is CC(C)Cc1nc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is GHCZGQDJPNRUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13(2)11-19-24-21(27-26-19)25-20(28)15-12-18(17-9-5-6-10-22-17)23-16-8-4-3-7-14(15)16/h3-10,12-13H,11H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 71828124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).