4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide

C24H25ClN4O2 — CID 25191767

IUPAC4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1c(NCCc2cccc(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C24H25ClN4O2/c25-18-6-3-5-17(15-18)9-11-26-21-10-12-27-23(30)22(21)24(31)28-19-7-4-8-20(16-19)29-13-1-2-14-29/h3-8,10,12,15-16H,1-2,9,11,13-14H2,(H,28,31)(H2,26,27,30)
InChIKeyCMRTWJGPVQHXSA-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.54
Rot. Bonds7

About 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide

4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide (PubChem CID 25191767) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
PubChem CID25191767
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1c(NCCc2cccc(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C24H25ClN4O2/c25-18-6-3-5-17(15-18)9-11-26-21-10-12-27-23(30)22(21)24(31)28-19-7-4-8-20(16-19)29-13-1-2-14-29/h3-8,10,12,15-16H,1-2,9,11,13-14H2,(H,28,31)(H2,26,27,30)
InChIKeyCMRTWJGPVQHXSA-UHFFFAOYSA-N
XLogP4.54
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chlorophenyl)ethylamino]-N-[4-(dimethylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25192202
2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide
CID 25192775
4-methyl-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 75450141
N'-(3-chlorophenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]oxamide
CID 16891562
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008455
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
N'-(3-chlorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892318
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191516
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157
N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
CID 110856202
1-(3-chlorophenyl)azonane
CID 145391535

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide (CID 25191767) is 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)c1c(NCCc2cccc(Cl)c2)cc[nH]c1=O.
What is the InChIKey of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide?
The InChIKey is CMRTWJGPVQHXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-18-6-3-5-17(15-18)9-11-26-21-10-12-27-23(30)22(21)24(31)28-19-7-4-8-20(16-19)29-13-1-2-14-29/h3-8,10,12,15-16H,1-2,9,11,13-14H2,(H,28,31)(H2,26,27,30).
What are the key properties of 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide?
4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25191767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).