2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide

C25H28N4O2 — CID 25192775

IUPAC2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1c(NCCc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C25H28N4O2/c30-24-23(22(12-14-27-24)26-13-11-19-7-2-1-3-8-19)25(31)28-21-10-6-9-20(17-21)18-29-15-4-5-16-29/h1-3,6-10,12,14,17H,4-5,11,13,15-16,18H2,(H,28,31)(H2,26,27,30)
InChIKeyJXSNSURVHOSICC-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.88
Rot. Bonds8

About 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide

2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 25192775) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID25192775
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CN2CCCC2)c1)c1c(NCCc2ccccc2)cc[nH]c1=O
InChIInChI=1S/C25H28N4O2/c30-24-23(22(12-14-27-24)26-13-11-19-7-2-1-3-8-19)25(31)28-21-10-6-9-20(17-21)18-29-15-4-5-16-29/h1-3,6-10,12,14,17H,4-5,11,13,15-16,18H2,(H,28,31)(H2,26,27,30)
InChIKeyJXSNSURVHOSICC-UHFFFAOYSA-N
XLogP3.88
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chlorophenyl)ethylamino]-2-oxo-N-(3-pyrrolidin-1-ylphenyl)-1H-pyridine-3-carboxamide
CID 25191767
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191516
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
N-[3-(methylcarbamoyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 146121744
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(ethylaminomethyl)phenyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 119438516
N-[3-(pyrrolidin-1-ylmethyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 167900333
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131944566
2-pyrrolidin-2-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 61366397

Frequently Asked Questions

What is the IUPAC name of 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide (CID 25192775) is 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1cccc(CN2CCCC2)c1)c1c(NCCc2ccccc2)cc[nH]c1=O.
What is the InChIKey of 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is JXSNSURVHOSICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24-23(22(12-14-27-24)26-13-11-19-7-2-1-3-8-19)25(31)28-21-10-6-9-20(17-21)18-29-15-4-5-16-29/h1-3,6-10,12,14,17H,4-5,11,13,15-16,18H2,(H,28,31)(H2,26,27,30).
What are the key properties of 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide?
2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4-(2-phenylethylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25192775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).