N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

C25H24N4O3 — CID 108925934

IUPACN-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1cccnc1
InChIInChI=1S/C25H24N4O3/c30-23-13-21(17-29(23)16-18-7-2-1-3-8-18)24(31)27-15-19-9-4-5-11-22(19)28-25(32)20-10-6-12-26-14-20/h1-12,14,21H,13,15-17H2,(H,27,31)(H,28,32)
InChIKeyMWFSKWGPKHNCIY-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.00
Rot. Bonds7

About N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925934) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925934
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1cccnc1
InChIInChI=1S/C25H24N4O3/c30-23-13-21(17-29(23)16-18-7-2-1-3-8-18)24(31)27-15-19-9-4-5-11-22(19)28-25(32)20-10-6-12-26-14-20/h1-12,14,21H,13,15-17H2,(H,27,31)(H,28,32)
InChIKeyMWFSKWGPKHNCIY-UHFFFAOYSA-N
XLogP3.00
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 39023396
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
tert-butyl N-[2-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917989
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131891650
1-benzyl-N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 47740008
N-(2-benzylsulfanylethyl)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 74237202
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
1-benzyl-5-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 78839031
(3R)-5-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97190729
[3-[[3-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929041
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925934) is N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1CNC(=O)C1CC(=O)N(Cc2ccccc2)C1)c1cccnc1.
What is the InChIKey of N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MWFSKWGPKHNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-23-13-21(17-29(23)16-18-7-2-1-3-8-18)24(31)27-15-19-9-4-5-11-22(19)28-25(32)20-10-6-12-26-14-20/h1-12,14,21H,13,15-17H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).