1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide

C20H23ClN4O3 — CID 175582952

IUPAC1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCC(=O)N1CCC(n2nc(C(=O)NC(C)c3cccc(Cl)c3)ccc2=O)CC1
InChIInChI=1S/C20H23ClN4O3/c1-13(15-4-3-5-16(21)12-15)22-20(28)18-6-7-19(27)25(23-18)17-8-10-24(11-9-17)14(2)26/h3-7,12-13,17H,8-11H2,1-2H3,(H,22,28)
InChIKeyHVBITMUGFAACSM-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.57
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide

1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide (PubChem CID 175582952) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
PubChem CID175582952
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide
SMILESCC(=O)N1CCC(n2nc(C(=O)NC(C)c3cccc(Cl)c3)ccc2=O)CC1
InChIInChI=1S/C20H23ClN4O3/c1-13(15-4-3-5-16(21)12-15)22-20(28)18-6-7-19(27)25(23-18)17-8-10-24(11-9-17)14(2)26/h3-7,12-13,17H,8-11H2,1-2H3,(H,22,28)
InChIKeyHVBITMUGFAACSM-UHFFFAOYSA-N
XLogP2.57
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-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

2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-4-oxobutanamide
CID 9181207
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 61117976
1-[4-[1-(3-chlorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747786
2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
CID 92549020
N-[(1R)-1-(3-cyclopropylphenyl)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 167473447
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
N-[1-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336877
N-[1-(3-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 54913622

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide (CID 175582952) is 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide is CC(=O)N1CCC(n2nc(C(=O)NC(C)c3cccc(Cl)c3)ccc2=O)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is HVBITMUGFAACSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-13(15-4-3-5-16(21)12-15)22-20(28)18-6-7-19(27)25(23-18)17-8-10-24(11-9-17)14(2)26/h3-7,12-13,17H,8-11H2,1-2H3,(H,22,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide?
1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-N-[1-(3-chlorophenyl)ethyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 175582952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).