N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

C19H17BrN4O — CID 109171966

IUPACN-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C19H17BrN4O/c1-13-9-16(20)4-5-17(13)24-19(25)15-6-8-22-18(10-15)23-12-14-3-2-7-21-11-14/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyBNCRCRDYNGSJJG-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.41
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide

N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171966) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171966
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C19H17BrN4O/c1-13-9-16(20)4-5-17(13)24-19(25)15-6-8-22-18(10-15)23-12-14-3-2-7-21-11-14/h2-11H,12H2,1H3,(H,22,23)(H,24,25)
InChIKeyBNCRCRDYNGSJJG-UHFFFAOYSA-N
XLogP4.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-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

2-(benzylamino)-N-(4-bromo-2-methylphenyl)pyridine-4-carboxamide
CID 109169578
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171981
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
N-(4-bromo-2-methylphenyl)-2-(tert-butylamino)pyridine-4-carboxamide
CID 109175040
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108963612
N-(2-bromo-4-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157908
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425
N-(2-morpholin-4-ylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171960

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide (CID 109171966) is N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is Cc1cc(Br)ccc1NC(=O)c1ccnc(NCc2cccnc2)c1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is BNCRCRDYNGSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-13-9-16(20)4-5-17(13)24-19(25)15-6-8-22-18(10-15)23-12-14-3-2-7-21-11-14/h2-11H,12H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).