8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide

C39H39BrN6O4 — CID 159646716

IUPAC8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.Cc1cncc2ccc(C(=O)NCc3ccccc3OC(C)C)nc12
InChIInChI=1S/C20H21N3O2.C19H18BrN3O2/c1-13(2)25-18-7-5-4-6-15(18)12-22-20(24)17-9-8-16-11-21-10-14(3)19(16)23-17;1-12(2)25-17-6-4-3-5-13(17)10-22-19(24)16-8-7-14-9-21-11-15(20)18(14)23-16/h4-11,13H,12H2,1-3H3,(H,22,24);3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKeyMRAXMSNUJQAQPT-UHFFFAOYSA-N
MW735.68 g/mol
LogP7.76
Rot. Bonds10

About 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide

8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 159646716) has the molecular formula C39H39BrN6O4 and a molecular weight of 735.68 g/mol. Its IUPAC name is 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID159646716
Molecular FormulaC39H39BrN6O4
Molecular Weight735.68 g/mol
Exact Mass734.22
IUPAC Name8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
SMILESCC(C)Oc1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.Cc1cncc2ccc(C(=O)NCc3ccccc3OC(C)C)nc12
InChIInChI=1S/C20H21N3O2.C19H18BrN3O2/c1-13(2)25-18-7-5-4-6-15(18)12-22-20(24)17-9-8-16-11-21-10-14(3)19(16)23-17;1-12(2)25-17-6-4-3-5-13(17)10-22-19(24)16-8-7-14-9-21-11-15(20)18(14)23-16/h4-11,13H,12H2,1-3H3,(H,22,24);3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKeyMRAXMSNUJQAQPT-UHFFFAOYSA-N
XLogP7.76
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.68
LogP ≤ 57.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-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

8-bromo-N-[[2-(ethylamino)phenyl]methyl]-1,6-naphthyridine-2-carboxamide;[2-[[(8-bromo-1,6-naphthyridine-2-carbonyl)amino]methyl]phenyl]-ethylazanium;methane;chloride
CID 157149295
N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carbothioamide
CID 3003145
(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-[(2-propoxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
CID 507350
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
N-[(2-methoxyphenyl)methyl]-5-(4-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109190227
N-[(2-methoxyphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109282251
N-[(2-methylphenyl)methyl]-4-(2-propan-2-yloxyanilino)pyridine-2-carboxamide
CID 109209998
8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167896791
1-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,2,4-triazole-3-carboxamide
CID 136519436
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[(2-propan-2-yloxyphenyl)methyl]benzamide
CID 55909018

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide (CID 159646716) is 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide is CC(C)Oc1ccccc1CNC(=O)c1ccc2cncc(Br)c2n1.Cc1cncc2ccc(C(=O)NCc3ccccc3OC(C)C)nc12.
What is the InChIKey of 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is MRAXMSNUJQAQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2.C19H18BrN3O2/c1-13(2)25-18-7-5-4-6-15(18)12-22-20(24)17-9-8-16-11-21-10-14(3)19(16)23-17;1-12(2)25-17-6-4-3-5-13(17)10-22-19(24)16-8-7-14-9-21-11-15(20)18(14)23-16/h4-11,13H,12H2,1-3H3,(H,22,24);3-9,11-12H,10H2,1-2H3,(H,22,24).
What are the key properties of 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide?
8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 735.68 g/mol, XLogP of 7.76, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide;8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159646716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).