5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide

C16H18ClN3O — CID 62185051

IUPAC5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H18ClN3O/c1-2-7-19-15-6-5-13(17)9-14(15)16(21)20-11-12-4-3-8-18-10-12/h3-6,8-10,19H,2,7,11H2,1H3,(H,20,21)
InChIKeyVFPSKYFDUWLTEL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.49
Rot. Bonds6

About 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide

5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 62185051) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
PubChem CID62185051
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C16H18ClN3O/c1-2-7-19-15-6-5-13(17)9-14(15)16(21)20-11-12-4-3-8-18-10-12/h3-6,8-10,19H,2,7,11H2,1H3,(H,20,21)
InChIKeyVFPSKYFDUWLTEL-UHFFFAOYSA-N
XLogP3.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1H-imidazol-2-ylmethyl)-2-(propylamino)benzamide
CID 64524778
2,5-dichloro-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 47076367
5-amino-2-(2-methoxyethylamino)-N-(pyridin-3-ylmethyl)benzamide;ethene
CID 168952712
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
5-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-(propylamino)benzamide
CID 65236480
5-N-(4-chloro-2-methylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106048
2-fluoro-5-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 62509197
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
N-(2,4-dichlorophenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963626

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide (CID 62185051) is 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide is CCCNc1ccc(Cl)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is VFPSKYFDUWLTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-7-19-15-6-5-13(17)9-14(15)16(21)20-11-12-4-3-8-18-10-12/h3-6,8-10,19H,2,7,11H2,1H3,(H,20,21).
What are the key properties of 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide?
5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(propylamino)-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 62185051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).