N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide

C18H13N5O — CID 167753556

IUPACN-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H13N5O/c24-18(22-17-7-10-20-23-17)14-11-16(12-5-8-19-9-6-12)21-15-4-2-1-3-13(14)15/h1-11H,(H2,20,22,23,24)
InChIKeyJVRDDAUCBPTAOG-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.27
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide

N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 167753556) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID167753556
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC NameN-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C18H13N5O/c24-18(22-17-7-10-20-23-17)14-11-16(12-5-8-19-9-6-12)21-15-4-2-1-3-13(14)15/h1-11H,(H2,20,22,23,24)
InChIKeyJVRDDAUCBPTAOG-UHFFFAOYSA-N
XLogP3.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
CID 70789439
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
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-(9-ethylcarbazol-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2330776
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-piperidin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 119388190
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 167753556) is N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1ccn[nH]1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JVRDDAUCBPTAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c24-18(22-17-7-10-20-23-17)14-11-16(12-5-8-19-9-6-12)21-15-4-2-1-3-13(14)15/h1-11H,(H2,20,22,23,24).
What are the key properties of N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide?
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 315.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 167753556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).