2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide

C12H11BrN4O — CID 114037403

IUPAC2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccnc(Br)c2)n1
InChIInChI=1S/C12H11BrN4O/c1-7-5-8(2)16-12(15-7)17-11(18)9-3-4-14-10(13)6-9/h3-6H,1-2H3,(H,15,16,17,18)
InChIKeyLWQRBPMVDRQAIN-UHFFFAOYSA-N
MW307.15 g/mol
LogP2.50
Rot. Bonds2

About 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide

2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide (PubChem CID 114037403) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
PubChem CID114037403
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
SMILESCc1cc(C)nc(NC(=O)c2ccnc(Br)c2)n1
InChIInChI=1S/C12H11BrN4O/c1-7-5-8(2)16-12(15-7)17-11(18)9-3-4-14-10(13)6-9/h3-6H,1-2H3,(H,15,16,17,18)
InChIKeyLWQRBPMVDRQAIN-UHFFFAOYSA-N
XLogP2.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841
N-(3-acetamidophenyl)-2-bromopyridine-4-carboxamide
CID 71854176
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-4-carboxamide
CID 107603408
2-bromo-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103755964
3-bromo-N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 802329
N-(4,6-dimethylpyrimidin-2-yl)-4-hydroxy-3-methylbenzamide
CID 107676575
2-bromo-N-[4-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 103753891
methyl N-[3-[(2-bromopyridine-4-carbonyl)amino]phenyl]carbamate
CID 103752502
2-bromo-N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide
CID 103755165
2-[(2-bromopyridine-4-carbonyl)amino]pyridine-4-carboxylic acid
CID 114037370
2-bromo-N-[4-(carbamoylamino)phenyl]pyridine-4-carboxamide
CID 103752137
2-bromo-N-(4-ethylphenyl)pyridine-4-carboxamide
CID 113255068

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide (CID 114037403) is 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide is Cc1cc(C)nc(NC(=O)c2ccnc(Br)c2)n1.
What is the InChIKey of 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
The InChIKey is LWQRBPMVDRQAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-7-5-8(2)16-12(15-7)17-11(18)9-3-4-14-10(13)6-9/h3-6H,1-2H3,(H,15,16,17,18).
What are the key properties of 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide?
2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 114037403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).