(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide

C19H23ClN4O2 — CID 95706061

IUPAC(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)n2ncc(N3CCCCC3)c(Cl)c2=O)c1
InChIInChI=1S/C19H23ClN4O2/c1-13-7-6-8-15(11-13)22-18(25)14(2)24-19(26)17(20)16(12-21-24)23-9-4-3-5-10-23/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyBCAWKBHAFMKHST-CQSZACIVSA-N
MW374.87 g/mol
LogP3.40
Rot. Bonds4

About (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide

(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide (PubChem CID 95706061) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide
PubChem CID95706061
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@@H](C)n2ncc(N3CCCCC3)c(Cl)c2=O)c1
InChIInChI=1S/C19H23ClN4O2/c1-13-7-6-8-15(11-13)22-18(25)14(2)24-19(26)17(20)16(12-21-24)23-9-4-3-5-10-23/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1
InChIKeyBCAWKBHAFMKHST-CQSZACIVSA-N
XLogP3.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide 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

(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-fluorophenyl)propanamide
CID 95706094
(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(4-fluorophenyl)propanamide
CID 95706060
(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide
CID 95713371
2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide
CID 56919967
N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 50752296
(2S)-N-(3-methylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]propanamide
CID 92902714
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 4877630
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 2562903
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
6-methyl-N-(3-methylphenyl)-4-piperidin-1-ylquinoline-2-carboxamide
CID 53020839
1-(1,3-diethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-3-(3-methylphenyl)urea
CID 50792175
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide (CID 95706061) is (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)[C@@H](C)n2ncc(N3CCCCC3)c(Cl)c2=O)c1.
What is the InChIKey of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is BCAWKBHAFMKHST-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-7-6-8-15(11-13)22-18(25)14(2)24-19(26)17(20)16(12-21-24)23-9-4-3-5-10-23/h6-8,11-12,14H,3-5,9-10H2,1-2H3,(H,22,25)/t14-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide?
(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 95706061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).