2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile

C17H12BrN3O — CID 3399382

IUPAC2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)o1
InChIInChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
InChIKeyBJNDBSJFWBZKOI-UHFFFAOYSA-N
MW354.21 g/mol
LogP4.53
Rot. Bonds2

About 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile

2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (PubChem CID 3399382) has the molecular formula C17H12BrN3O and a molecular weight of 354.21 g/mol. Its IUPAC name is 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
PubChem CID3399382
Molecular FormulaC17H12BrN3O
Molecular Weight354.21 g/mol
Exact Mass353.02
IUPAC Name2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)o1
InChIInChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
InChIKeyBJNDBSJFWBZKOI-UHFFFAOYSA-N
XLogP4.53
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile 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-Amino-4-(2-furyl)-6-phenylnicotinonitrile
CID 743242
2-Amino-4-(5-methylfuran-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 679296
2-amino-4-(5-methyl-2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 2047114
2-Amino-6-furan-2-yl-4-phenyl-nicotinonitrile
CID 24950370
N-[3-cyano-4-(furan-2-yl)-6-phenylpyridin-2-yl]acetamide
CID 671422
2-Amino-4-(5-methyl-2-furyl)-6-phenylnicotinonitrile
CID 3355257
2-Amino-6-cyclopropyl-4-(furan-2-yl)pyridine-3-carbonitrile
CID 659053
2-Amino-6-(5-methylfuran-2-yl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 661059
2-Amino-4-(4-fluorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 705445
2-Amino-5-ethyl-4-(2-furanyl)-6-propyl-3-pyridinecarbonitrile
CID 748950
2-amino-4-(2-furyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 754321
2-Amino-4-(5-methyl-2-furyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 873023

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CID 3399382) is 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)o1.
What is the InChIKey of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The InChIKey is BJNDBSJFWBZKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O/c1-10-2-7-16(22-10)13-8-15(21-17(20)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21).
What are the key properties of 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile has a molecular weight of 354.21 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-bromophenyl)-4-(5-methylfuran-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3399382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).