6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide

C14H10BrN3O — CID 66463352

IUPAC6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Br)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H10BrN3O/c1-18(12-5-2-10(8-16)3-6-12)14(19)11-4-7-13(15)17-9-11/h2-7,9H,1H3
InChIKeyUUDYMDPRNVFOMH-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.99
Rot. Bonds2

About 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide

6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide (PubChem CID 66463352) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
PubChem CID66463352
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(Br)nc1)c1ccc(C#N)cc1
InChIInChI=1S/C14H10BrN3O/c1-18(12-5-2-10(8-16)3-6-12)14(19)11-4-7-13(15)17-9-11/h2-7,9H,1H3
InChIKeyUUDYMDPRNVFOMH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide (CID 66463352) is 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1ccc(Br)nc1)c1ccc(C#N)cc1.
What is the InChIKey of 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide?
The InChIKey is UUDYMDPRNVFOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c1-18(12-5-2-10(8-16)3-6-12)14(19)11-4-7-13(15)17-9-11/h2-7,9H,1H3.
What are the key properties of 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide?
6-bromo-N-(4-cyanophenyl)-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 6-bromo-N-(4-cyanophenyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 66463352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).