N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide

C15H16BrN3O — CID 109179798

IUPACN-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2cccc(Br)c2)nc1
InChIInChI=1S/C15H16BrN3O/c1-10(2)18-13-6-7-14(17-9-13)15(20)19-12-5-3-4-11(16)8-12/h3-10,18H,1-2H3,(H,19,20)
InChIKeyVMSVOSVFXCIDGH-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.92
Rot. Bonds4

About N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide

N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 109179798) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID109179798
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC NameN-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2cccc(Br)c2)nc1
InChIInChI=1S/C15H16BrN3O/c1-10(2)18-13-6-7-14(17-9-13)15(20)19-12-5-3-4-11(16)8-12/h3-10,18H,1-2H3,(H,19,20)
InChIKeyVMSVOSVFXCIDGH-UHFFFAOYSA-N
XLogP3.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-bromophenyl)-5-(propan-2-ylamino)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

N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
5-(benzylamino)-N-(3-bromophenyl)pyridine-2-carboxamide
CID 109188098
N-(3-bromophenyl)-5-(2-methoxyanilino)pyridine-2-carboxamide
CID 109199748
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818
N-(3-bromophenyl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191938
5-(3-bromoanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188944
3-bromo-N-propan-2-ylaniline
CID 23291934
N-(3-bromophenyl)pyrazine-2-carboxamide
CID 139196935
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495
2-N-(3-bromophenyl)-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079716
5-(3-acetamidoanilino)-N-(3-acetylphenyl)pyridine-2-carboxamide
CID 109200332
methyl 3-[(5-bromopyridine-2-carbonyl)amino]benzoate
CID 62958863

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide (CID 109179798) is N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)Nc1ccc(C(=O)Nc2cccc(Br)c2)nc1.
What is the InChIKey of N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is VMSVOSVFXCIDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-10(2)18-13-6-7-14(17-9-13)15(20)19-12-5-3-4-11(16)8-12/h3-10,18H,1-2H3,(H,19,20).
What are the key properties of N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide?
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109179798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).