3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C16H16BrN3O — CID 107518403

IUPAC3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ncccc1Br
InChIInChI=1S/C16H16BrN3O/c17-14-4-3-9-18-15(14)16(21)19-12-5-7-13(8-6-12)20-10-1-2-11-20/h3-9H,1-2,10-11H2,(H,19,21)
InChIKeyCZZGUXWXRZRLPX-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.70
Rot. Bonds3

About 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 107518403) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID107518403
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC Name3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ncccc1Br
InChIInChI=1S/C16H16BrN3O/c17-14-4-3-9-18-15(14)16(21)19-12-5-7-13(8-6-12)20-10-1-2-11-20/h3-9H,1-2,10-11H2,(H,19,21)
InChIKeyCZZGUXWXRZRLPX-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-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

3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 62490450
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 51105836
3-bromo-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 107517768
5-[(3-bromopyridine-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 107516941
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
3-bromo-N-(4-butylphenyl)pyridine-2-carboxamide
CID 107517899

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 107518403) is 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is CZZGUXWXRZRLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-14-4-3-9-18-15(14)16(21)19-12-5-7-13(8-6-12)20-10-1-2-11-20/h3-9H,1-2,10-11H2,(H,19,21).
What are the key properties of 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 346.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 107518403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).