N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide

C23H20N4O — CID 117090770

IUPACN-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NCc2cccnc2)nc2ccccc12
InChIInChI=1S/C23H20N4O/c28-23(26-15-17-7-2-1-3-8-17)20-13-22(25-16-18-9-6-12-24-14-18)27-21-11-5-4-10-19(20)21/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKeyPVAIRUFCIZBCPR-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.17
Rot. Bonds6

About N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide

N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide (PubChem CID 117090770) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
PubChem CID117090770
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC NameN-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NCc2cccnc2)nc2ccccc12
InChIInChI=1S/C23H20N4O/c28-23(26-15-17-7-2-1-3-8-17)20-13-22(25-16-18-9-6-12-24-14-18)27-21-11-5-4-10-19(20)21/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKeyPVAIRUFCIZBCPR-UHFFFAOYSA-N
XLogP4.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776657
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 4569794
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
The IUPAC name of N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide (CID 117090770) is N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
The canonical SMILES for N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(NCc2cccnc2)nc2ccccc12.
What is the InChIKey of N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
The InChIKey is PVAIRUFCIZBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-23(26-15-17-7-2-1-3-8-17)20-13-22(25-16-18-9-6-12-24-14-18)27-21-11-5-4-10-19(20)21/h1-14H,15-16H2,(H,25,27)(H,26,28).
What are the key properties of N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide?
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide is sourced from PubChem (CID 117090770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).