6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide

C25H25BrN4O2 — CID 60560334

IUPAC6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C25H25BrN4O2/c1-16-21(10-11-22(28-16)18-6-3-7-19(26)14-18)25(32)29-20-8-2-5-17(13-20)15-30-12-4-9-23(30)24(27)31/h2-3,5-8,10-11,13-14,23H,4,9,12,15H2,1H3,(H2,27,31)(H,29,32)
InChIKeySWNGBKFREIYWEV-UHFFFAOYSA-N
MW493.41 g/mol
LogP4.52
Rot. Bonds6

About 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide (PubChem CID 60560334) has the molecular formula C25H25BrN4O2 and a molecular weight of 493.41 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
PubChem CID60560334
Molecular FormulaC25H25BrN4O2
Molecular Weight493.41 g/mol
Exact Mass492.12
IUPAC Name6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(CN2CCCC2C(N)=O)c1
InChIInChI=1S/C25H25BrN4O2/c1-16-21(10-11-22(28-16)18-6-3-7-19(26)14-18)25(32)29-20-8-2-5-17(13-20)15-30-12-4-9-23(30)24(27)31/h2-3,5-8,10-11,13-14,23H,4,9,12,15H2,1H3,(H2,27,31)(H,29,32)
InChIKeySWNGBKFREIYWEV-UHFFFAOYSA-N
XLogP4.52
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.41
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide 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

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 60560386
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 55983762
1-[[3-[(2,3,4-trimethoxybenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985295
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
(2S)-1-[[3-[(5-ethylfuran-2-carbonyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52730298
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 55726267
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
1-[[3-[[3-(thiophene-2-carbonylamino)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984987
1-[[3-[[4-(difluoromethylsulfanyl)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560118
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1-phenylpyrazole-3-carboxamide
CID 60560463

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide (CID 60560334) is 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(CN2CCCC2C(N)=O)c1.
What is the InChIKey of 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is SWNGBKFREIYWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN4O2/c1-16-21(10-11-22(28-16)18-6-3-7-19(26)14-18)25(32)29-20-8-2-5-17(13-20)15-30-12-4-9-23(30)24(27)31/h2-3,5-8,10-11,13-14,23H,4,9,12,15H2,1H3,(H2,27,31)(H,29,32).
What are the key properties of 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 493.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 60560334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).