2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide

C17H16BrN3O2 — CID 109093970

IUPAC2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(C(=O)NC2CC2)n1
InChIInChI=1S/C17H16BrN3O2/c1-10-9-11(18)5-8-13(10)21-17(23)15-4-2-3-14(20-15)16(22)19-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,22)(H,21,23)
InChIKeyALMMXJTXSPGEAD-UHFFFAOYSA-N
MW374.24 g/mol
LogP3.30
Rot. Bonds4

About 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide

2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide (PubChem CID 109093970) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
PubChem CID109093970
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC Name2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
SMILESCc1cc(Br)ccc1NC(=O)c1cccc(C(=O)NC2CC2)n1
InChIInChI=1S/C17H16BrN3O2/c1-10-9-11(18)5-8-13(10)21-17(23)15-4-2-3-14(20-15)16(22)19-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,22)(H,21,23)
InChIKeyALMMXJTXSPGEAD-UHFFFAOYSA-N
XLogP3.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(4-bromo-2-methylphenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094353
6-N-cyclopropyl-2-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109093918
6-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109095019
6-N-cycloheptyl-2-N-(2,6-dimethylphenyl)pyridine-2,6-dicarboxamide
CID 109099263
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
6-N-cyclopropyl-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093944
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
6-N-cyclohexyl-2-N-(2,4-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109095391
6-N-cyclopropyl-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109093936
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
6-N-cyclopentyl-2-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109095085

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide (CID 109093970) is 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide is Cc1cc(Br)ccc1NC(=O)c1cccc(C(=O)NC2CC2)n1.
What is the InChIKey of 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide?
The InChIKey is ALMMXJTXSPGEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-10-9-11(18)5-8-13(10)21-17(23)15-4-2-3-14(20-15)16(22)19-12-6-7-12/h2-5,8-9,12H,6-7H2,1H3,(H,19,22)(H,21,23).
What are the key properties of 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide?
2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide has a molecular weight of 374.24 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-2-methylphenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109093970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).