4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide

C20H20N4O2 — CID 86798695

IUPAC4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)NCc2ccccn2)nc2ccccc12
InChIInChI=1S/C20H20N4O2/c1-14-12-18(24-17-8-3-2-7-16(14)17)20(26)22-11-9-19(25)23-13-15-6-4-5-10-21-15/h2-8,10,12H,9,11,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyYYHAPKLOLFGDOO-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.37
Rot. Bonds6

About 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide

4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide (PubChem CID 86798695) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
PubChem CID86798695
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCCC(=O)NCc2ccccn2)nc2ccccc12
InChIInChI=1S/C20H20N4O2/c1-14-12-18(24-17-8-3-2-7-16(14)17)20(26)22-11-9-19(25)23-13-15-6-4-5-10-21-15/h2-8,10,12H,9,11,13H2,1H3,(H,22,26)(H,23,25)
InChIKeyYYHAPKLOLFGDOO-UHFFFAOYSA-N
XLogP2.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 86798698
4-methoxy-N-(2-pyridin-2-ylethyl)quinoline-2-carboxamide
CID 54723542
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
N-(pyridin-2-ylmethyl)quinoline-2-carboxamide
CID 712665
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
CID 3237599
3-(2,5-dimethylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 8880667

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide (CID 86798695) is 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide is Cc1cc(C(=O)NCCC(=O)NCc2ccccn2)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide?
The InChIKey is YYHAPKLOLFGDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-12-18(24-17-8-3-2-7-16(14)17)20(26)22-11-9-19(25)23-13-15-6-4-5-10-21-15/h2-8,10,12H,9,11,13H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide?
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide is sourced from PubChem (CID 86798695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).