N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide

C18H19ClN4O2 — CID 57327120

IUPACN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-13(24)22-8-10-23(11-9-22)17-5-3-2-4-15(17)21-18(25)16-12-14(19)6-7-20-16/h2-7,12H,8-11H2,1H3,(H,21,25)
InChIKeyPOBYCMMFZRVZJQ-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.66
Rot. Bonds3

About N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide

N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide (PubChem CID 57327120) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
PubChem CID57327120
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide
SMILESCC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Cl)ccn2)CC1
InChIInChI=1S/C18H19ClN4O2/c1-13(24)22-8-10-23(11-9-22)17-5-3-2-4-15(17)21-18(25)16-12-14(19)6-7-20-16/h2-7,12H,8-11H2,1H3,(H,21,25)
InChIKeyPOBYCMMFZRVZJQ-UHFFFAOYSA-N
XLogP2.66
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)pyridine-2-carboxamide
CID 109209206
4-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)pyridine-2-carboxamide
CID 109209263
N-[2-(4-acetylpiperazin-1-yl)phenyl]-6-aminopyrazine-2-carboxamide
CID 57327084
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
N-[2-(4-acetylpiperazin-1-yl)phenyl]-5-bromo-2-chlorobenzamide
CID 1259192
4-chloro-N-(2-hydroxyphenyl)pyridine-2-carboxamide
CID 35852171
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-[2-(4-acetylpiperazin-1-yl)phenyl]naphthalene-2-carboxamide
CID 6458409
4-(4-acetylpiperazine-1-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109084885
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-iodobenzamide
CID 2976682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide (CID 57327120) is N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide is CC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Cl)ccn2)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide?
The InChIKey is POBYCMMFZRVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13(24)22-8-10-23(11-9-22)17-5-3-2-4-15(17)21-18(25)16-12-14(19)6-7-20-16/h2-7,12H,8-11H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide?
N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)phenyl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 57327120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).