2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide

C12H11BrN4O — CID 103752547

IUPAC2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1nccc(CNC(=O)c2ccnc(Br)c2)n1
InChIInChI=1S/C12H11BrN4O/c1-8-14-5-3-10(17-8)7-16-12(18)9-2-4-15-11(13)6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyHSILXJKZSNBPDW-UHFFFAOYSA-N
MW307.15 g/mol
LogP1.87
Rot. Bonds3

About 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide

2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 103752547) has the molecular formula C12H11BrN4O and a molecular weight of 307.15 g/mol. Its IUPAC name is 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
PubChem CID103752547
Molecular FormulaC12H11BrN4O
Molecular Weight307.15 g/mol
Exact Mass306.01
IUPAC Name2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
SMILESCc1nccc(CNC(=O)c2ccnc(Br)c2)n1
InChIInChI=1S/C12H11BrN4O/c1-8-14-5-3-10(17-8)7-16-12(18)9-2-4-15-11(13)6-9/h2-6H,7H2,1H3,(H,16,18)
InChIKeyHSILXJKZSNBPDW-UHFFFAOYSA-N
XLogP1.87
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.15
LogP ≤ 51.87
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

3-bromo-4-methyl-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 79467462
4-bromo-3-chloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 80972967
2,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 61053110
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
4-amino-3,5-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 82832714
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745
N-[(2-methylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998603
4-bromo-N-[(2-methylpyrimidin-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 47292396
5,6-dichloro-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 47298865
N-[(2-methylpyrimidin-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47292400
methyl 4-[(2-methylpyrimidin-4-yl)methylcarbamoyl]benzoate;molecular hydrogen
CID 142290980

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide (CID 103752547) is 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is Cc1nccc(CNC(=O)c2ccnc(Br)c2)n1.
What is the InChIKey of 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is HSILXJKZSNBPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O/c1-8-14-5-3-10(17-8)7-16-12(18)9-2-4-15-11(13)6-9/h2-6H,7H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide?
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 307.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 103752547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).