N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide

C16H15N3O3 — CID 110705505

IUPACN-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H15N3O3/c1-11(20)12-4-2-6-14(8-12)19-15(21)10-18-16(22)13-5-3-7-17-9-13/h2-9H,10H2,1H3,(H,18,22)(H,19,21)
InChIKeyKTZSKUVOGNZKOI-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.65
Rot. Bonds5

About N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide

N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 110705505) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID110705505
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1
InChIInChI=1S/C16H15N3O3/c1-11(20)12-4-2-6-14(8-12)19-15(21)10-18-16(22)13-5-3-7-17-9-13/h2-9H,10H2,1H3,(H,18,22)(H,19,21)
InChIKeyKTZSKUVOGNZKOI-UHFFFAOYSA-N
XLogP1.65
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
N-[3-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55633445
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 84505135
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[2-(2,4-dimethylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705466
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]pyridine-3-carboxamide
CID 110705497
N-[3-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188511
N-(2-hydrazinyl-2-oxoethyl)pyridine-3-carboxamide
CID 39070404

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide (CID 110705505) is N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is KTZSKUVOGNZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11(20)12-4-2-6-14(8-12)19-15(21)10-18-16(22)13-5-3-7-17-9-13/h2-9H,10H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide?
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 110705505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).