N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide

C16H17N3O2 — CID 17154422

IUPACN-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H17N3O2/c20-15(19-12-14-8-4-5-10-17-14)9-11-18-16(21)13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,18,21)(H,19,20)
InChIKeyJWSBCCIMWCDMOO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.52
Rot. Bonds6

About N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide

N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide (PubChem CID 17154422) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
PubChem CID17154422
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)NCc1ccccn1
InChIInChI=1S/C16H17N3O2/c20-15(19-12-14-8-4-5-10-17-14)9-11-18-16(21)13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,18,21)(H,19,20)
InChIKeyJWSBCCIMWCDMOO-UHFFFAOYSA-N
XLogP1.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
4-methyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]quinoline-2-carboxamide
CID 86798695
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
CID 3237599
2-chloro-4,5-dimethyl-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 86798698
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
N-[2-[[2-(pyridin-2-ylmethylsulfanyl)acetyl]amino]ethyl]benzamide
CID 51085850
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The IUPAC name of N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide (CID 17154422) is N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide.
What is the SMILES notation for N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The canonical SMILES for N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide is O=C(CCNC(=O)c1ccccc1)NCc1ccccn1.
What is the InChIKey of N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
The InChIKey is JWSBCCIMWCDMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-15(19-12-14-8-4-5-10-17-14)9-11-18-16(21)13-6-2-1-3-7-13/h1-8,10H,9,11-12H2,(H,18,21)(H,19,20).
What are the key properties of N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide?
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide has a molecular weight of 283.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide is sourced from PubChem (CID 17154422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).