N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

C23H18N4O2 — CID 32636575

IUPACN-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O2/c24-22(28)16-6-3-5-15(11-16)13-26-23(29)19-12-21(17-7-4-10-25-14-17)27-20-9-2-1-8-18(19)20/h1-12,14H,13H2,(H2,24,28)(H,26,29)
InChIKeyXUCNHKFYIAKDLR-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.33
Rot. Bonds5

About N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 32636575) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID32636575
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESNC(=O)c1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C23H18N4O2/c24-22(28)16-6-3-5-15(11-16)13-26-23(29)19-12-21(17-7-4-10-25-14-17)27-20-9-2-1-8-18(19)20/h1-12,14H,13H2,(H2,24,28)(H,26,29)
InChIKeyXUCNHKFYIAKDLR-UHFFFAOYSA-N
XLogP3.33
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55815215
N-[(4-propan-2-yloxyphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798269
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-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
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

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide (CID 32636575) is N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is NC(=O)c1cccc(CNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is XUCNHKFYIAKDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c24-22(28)16-6-3-5-15(11-16)13-26-23(29)19-12-21(17-7-4-10-25-14-17)27-20-9-2-1-8-18(19)20/h1-12,14H,13H2,(H2,24,28)(H,26,29).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 32636575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).