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

C19H23ClN4O2 — CID 95713371

IUPAC(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)n1ncc(N2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C19H23ClN4O2/c1-13-8-4-5-9-15(13)22-18(25)14(2)24-19(26)17(20)16(12-21-24)23-10-6-3-7-11-23/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyNKIOEZLIUCPIBG-AWEZNQCLSA-N
MW374.87 g/mol
LogP3.40
Rot. Bonds4

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

(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide (PubChem CID 95713371) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide
PubChem CID95713371
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)[C@H](C)n1ncc(N2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C19H23ClN4O2/c1-13-8-4-5-9-15(13)22-18(25)14(2)24-19(26)17(20)16(12-21-24)23-10-6-3-7-11-23/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyNKIOEZLIUCPIBG-AWEZNQCLSA-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

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Related Compounds

2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide
CID 56919967
(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide
CID 95706061
(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-(3-fluorophenyl)propanamide
CID 95706094
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 46558770
1-(2-methylphenyl)-3-(2-piperidin-1-ylphenyl)urea
CID 2814230
N-(3-chloro-2-methylphenyl)-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533587
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
(2S)-N-(2-methylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-3-yl)propanamide
CID 7540909
2-(4-acetylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 51167865
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
N-(5-chloro-2-piperidin-1-ylphenyl)-2-pyrazol-1-ylpropanamide
CID 134048479

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide (CID 95713371) is (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)[C@H](C)n1ncc(N2CCCCC2)c(Cl)c1=O.
What is the InChIKey of (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is NKIOEZLIUCPIBG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-13-8-4-5-9-15(13)22-18(25)14(2)24-19(26)17(20)16(12-21-24)23-10-6-3-7-11-23/h4-5,8-9,12,14H,3,6-7,10-11H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide?
(2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-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 (2S)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 95713371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).