N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide

C14H10BrN3O — CID 115115670

IUPACN-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cnccc1C#N)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O/c1-18(12-4-2-3-11(15)7-12)14(19)13-9-17-6-5-10(13)8-16/h2-7,9H,1H3
InChIKeyMBVAMRWGQZYWBI-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.99
Rot. Bonds2

About N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide

N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide (PubChem CID 115115670) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide
PubChem CID115115670
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cnccc1C#N)c1cccc(Br)c1
InChIInChI=1S/C14H10BrN3O/c1-18(12-4-2-3-11(15)7-12)14(19)13-9-17-6-5-10(13)8-16/h2-7,9H,1H3
InChIKeyMBVAMRWGQZYWBI-UHFFFAOYSA-N
XLogP2.99
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide (CID 115115670) is N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide is CN(C(=O)c1cnccc1C#N)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide?
The InChIKey is MBVAMRWGQZYWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-18(12-4-2-3-11(15)7-12)14(19)13-9-17-6-5-10(13)8-16/h2-7,9H,1H3.
What are the key properties of N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide?
N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide has a molecular weight of 316.16 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-4-cyano-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 115115670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).