N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide

C12H10BrN3O — CID 75503428

IUPACN-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ncccc1Br
InChIInChI=1S/C12H10BrN3O/c1-16(11-10(13)3-2-6-15-11)12(17)9-4-7-14-8-5-9/h2-8H,1H3
InChIKeyJLPNLFDIXNJABC-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.52
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide

N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide (PubChem CID 75503428) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide
PubChem CID75503428
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC NameN-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1)c1ncccc1Br
InChIInChI=1S/C12H10BrN3O/c1-16(11-10(13)3-2-6-15-11)12(17)9-4-7-14-8-5-9/h2-8H,1H3
InChIKeyJLPNLFDIXNJABC-UHFFFAOYSA-N
XLogP2.52
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide (CID 75503428) is N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide?
The InChIKey is JLPNLFDIXNJABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c1-16(11-10(13)3-2-6-15-11)12(17)9-4-7-14-8-5-9/h2-8H,1H3.
What are the key properties of N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide?
N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide has a molecular weight of 292.14 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 75503428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).