2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

C17H12N6O — CID 30865963

IUPAC2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C17H12N6O/c24-16(22-17-19-10-20-23-17)13-9-15(11-5-7-18-8-6-11)21-14-4-2-1-3-12(13)14/h1-10H,(H2,19,20,22,23,24)
InChIKeyGNMWSHHETGAVFT-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.67
Rot. Bonds3

About 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide

2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide (PubChem CID 30865963) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
PubChem CID30865963
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC Name2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C17H12N6O/c24-16(22-17-19-10-20-23-17)13-9-15(11-5-7-18-8-6-11)21-14-4-2-1-3-12(13)14/h1-10H,(H2,19,20,22,23,24)
InChIKeyGNMWSHHETGAVFT-UHFFFAOYSA-N
XLogP2.67
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865928
2-thiophen-2-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865965
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 35524053
2-pyridin-4-yl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]quinoline-4-carboxamide
CID 72852185
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
methyl 4-methyl-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]benzoate
CID 26198220
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide (CID 30865963) is 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide is O=C(Nc1ncn[nH]1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
The InChIKey is GNMWSHHETGAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c24-16(22-17-19-10-20-23-17)13-9-15(11-5-7-18-8-6-11)21-14-4-2-1-3-12(13)14/h1-10H,(H2,19,20,22,23,24).
What are the key properties of 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide?
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide is sourced from PubChem (CID 30865963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).