2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

C21H16N4O — CID 24538422

IUPAC2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H16N4O/c26-21(24-13-15-7-10-22-11-8-15)18-12-20(16-4-3-9-23-14-16)25-19-6-2-1-5-17(18)19/h1-12,14H,13H2,(H,24,26)
InChIKeyPSIAPINAOAQBAL-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.62
Rot. Bonds4

About 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide

2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (PubChem CID 24538422) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
PubChem CID24538422
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
SMILESO=C(NCc1ccncc1)c1cc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C21H16N4O/c26-21(24-13-15-7-10-22-11-8-15)18-12-20(16-4-3-9-23-14-16)25-19-6-2-1-5-17(18)19/h1-12,14H,13H2,(H,24,26)
InChIKeyPSIAPINAOAQBAL-UHFFFAOYSA-N
XLogP3.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
6-chloro-N-[(4-chlorophenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798226
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-[3-(4-hydroxyphenyl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 86972801
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 71905944
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-[2-(2-fluorophenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 27847926

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide (CID 24538422) is 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is O=C(NCc1ccncc1)c1cc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
The InChIKey is PSIAPINAOAQBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(24-13-15-7-10-22-11-8-15)18-12-20(16-4-3-9-23-14-16)25-19-6-2-1-5-17(18)19/h1-12,14H,13H2,(H,24,26).
What are the key properties of 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide?
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 24538422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).