2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide

C18H20ClN3O2 — CID 86798698

IUPAC2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
SMILESCc1cc(Cl)c(C(=O)NCCC(=O)NCc2ccccn2)cc1C
InChIInChI=1S/C18H20ClN3O2/c1-12-9-15(16(19)10-13(12)2)18(24)21-8-6-17(23)22-11-14-5-3-4-7-20-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUKLSNOGWAXXWOA-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.79
Rot. Bonds6

About 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide

2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide (PubChem CID 86798698) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
PubChem CID86798698
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
SMILESCc1cc(Cl)c(C(=O)NCCC(=O)NCc2ccccn2)cc1C
InChIInChI=1S/C18H20ClN3O2/c1-12-9-15(16(19)10-13(12)2)18(24)21-8-6-17(23)22-11-14-5-3-4-7-20-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyUKLSNOGWAXXWOA-UHFFFAOYSA-N
XLogP2.79
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
CID 86798695
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
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)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
2-(4-chloro-2,6-dimethylphenoxy)-N-(pyridin-2-ylmethyl)acetamide
CID 9414673
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 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The IUPAC name of 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide (CID 86798698) is 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide is Cc1cc(Cl)c(C(=O)NCCC(=O)NCc2ccccn2)cc1C.
What is the InChIKey of 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The InChIKey is UKLSNOGWAXXWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-9-15(16(19)10-13(12)2)18(24)21-8-6-17(23)22-11-14-5-3-4-7-20-14/h3-5,7,9-10H,6,8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide has a molecular weight of 345.83 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 86798698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).