N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide

C14H10BrN3O — CID 115116492

IUPACN-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(C#N)n1)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c1-18(13-8-3-2-6-11(13)15)14(19)12-7-4-5-10(9-16)17-12/h2-8H,1H3
InChIKeyKFDNSPFQONANSO-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.99
Rot. Bonds2

About N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide

N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide (PubChem CID 115116492) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide
PubChem CID115116492
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1cccc(C#N)n1)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c1-18(13-8-3-2-6-11(13)15)14(19)12-7-4-5-10(9-16)17-12/h2-8H,1H3
InChIKeyKFDNSPFQONANSO-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-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide (CID 115116492) is N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide is CN(C(=O)c1cccc(C#N)n1)c1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide?
The InChIKey is KFDNSPFQONANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-18(13-8-3-2-6-11(13)15)14(19)12-7-4-5-10(9-16)17-12/h2-8H,1H3.
What are the key properties of N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide?
N-(2-bromophenyl)-6-cyano-N-methylpyridine-2-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-(2-bromophenyl)-6-cyano-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 115116492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).