N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide

C16H16ClN3O2 — CID 113059444

IUPACN-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-12(21)20(15-7-3-2-6-14(15)17)10-9-19-16(22)13-5-4-8-18-11-13/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyNXBGXWOLSQJRID-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.52
Rot. Bonds5

About N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide

N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide (PubChem CID 113059444) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
PubChem CID113059444
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide
SMILESCC(=O)N(CCNC(=O)c1cccnc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-12(21)20(15-7-3-2-6-14(15)17)10-9-19-16(22)13-5-4-8-18-11-13/h2-8,11H,9-10H2,1H3,(H,19,22)
InChIKeyNXBGXWOLSQJRID-UHFFFAOYSA-N
XLogP2.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-4-propan-2-ylanilino)ethyl]pyridine-3-carboxamide
CID 113058717
N-[2-(N-acetyl-4-phenylmethoxyanilino)ethyl]pyridine-3-carboxamide
CID 113062582
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
CID 113063846
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-3,4-dichlorobenzamide
CID 113055305
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide (CID 113059444) is N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide is CC(=O)N(CCNC(=O)c1cccnc1)c1ccccc1Cl.
What is the InChIKey of N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide?
The InChIKey is NXBGXWOLSQJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-12(21)20(15-7-3-2-6-14(15)17)10-9-19-16(22)13-5-4-8-18-11-13/h2-8,11H,9-10H2,1H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide?
N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-chloroanilino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113059444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).