N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide

C24H21BrN4O3 — CID 55903087

IUPACN-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)c1)c1ccncc1
InChIInChI=1S/C24H21BrN4O3/c25-19-4-2-6-21(13-19)29-15-18(12-22(29)30)23(31)27-14-16-3-1-5-20(11-16)28-24(32)17-7-9-26-10-8-17/h1-11,13,18H,12,14-15H2,(H,27,31)(H,28,32)
InChIKeyHCXKXPPAZAHTCI-UHFFFAOYSA-N
MW493.36 g/mol
LogP3.77
Rot. Bonds6

About N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide

N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 55903087) has the molecular formula C24H21BrN4O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID55903087
Molecular FormulaC24H21BrN4O3
Molecular Weight493.36 g/mol
Exact Mass492.08
IUPAC NameN-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)c1)c1ccncc1
InChIInChI=1S/C24H21BrN4O3/c25-19-4-2-6-21(13-19)29-15-18(12-22(29)30)23(31)27-14-16-3-1-5-20(11-16)28-24(32)17-7-9-26-10-8-17/h1-11,13,18H,12,14-15H2,(H,27,31)(H,28,32)
InChIKeyHCXKXPPAZAHTCI-UHFFFAOYSA-N
XLogP3.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904734
(3R)-1-(3-acetamidophenyl)-N-[(3-bromophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727158
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3R)-1-(3-acetamidophenyl)-N-[(3-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92727160
1-(3-bromophenyl)-5-oxo-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide
CID 46596513
1-(2,3-dimethylphenyl)-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55900417
1-(3-bromophenyl)-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 46581216
1-(3-bromophenyl)-N-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxamide
CID 119037342
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3-bromophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42890520
(3R)-1-(3-bromophenyl)-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 37183309
(3S)-1-[3-[(3-methylphenyl)carbamoyl]phenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 92900169

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide (CID 55903087) is N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(CNC(=O)C2CC(=O)N(c3cccc(Br)c3)C2)c1)c1ccncc1.
What is the InChIKey of N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is HCXKXPPAZAHTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O3/c25-19-4-2-6-21(13-19)29-15-18(12-22(29)30)23(31)27-14-16-3-1-5-20(11-16)28-24(32)17-7-9-26-10-8-17/h1-11,13,18H,12,14-15H2,(H,27,31)(H,28,32).
What are the key properties of N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide?
N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 493.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[1-(3-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55903087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).