6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C12H13BrN4O — CID 103861052

IUPAC6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1c(CNC(=O)c2ccc(Br)nc2)cnn1C
InChIInChI=1S/C12H13BrN4O/c1-8-10(7-16-17(8)2)6-15-12(18)9-3-4-11(13)14-5-9/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyRRDRQZRTXDUKAE-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.82
Rot. Bonds3

About 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide

6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 103861052) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID103861052
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1c(CNC(=O)c2ccc(Br)nc2)cnn1C
InChIInChI=1S/C12H13BrN4O/c1-8-10(7-16-17(8)2)6-15-12(18)9-3-4-11(13)14-5-9/h3-5,7H,6H2,1-2H3,(H,15,18)
InChIKeyRRDRQZRTXDUKAE-UHFFFAOYSA-N
XLogP1.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.82
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-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 102978759
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106041082
5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 106035328
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 126835562
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-fluorobenzamide
CID 106032758
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 75434360
6-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 66462120
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
4,5-dibromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 3398298
2-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzamide
CID 103861008
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
6-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-3-carboxamide
CID 66462161

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 103861052) is 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cc1c(CNC(=O)c2ccc(Br)nc2)cnn1C.
What is the InChIKey of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RRDRQZRTXDUKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-8-10(7-16-17(8)2)6-15-12(18)9-3-4-11(13)14-5-9/h3-5,7H,6H2,1-2H3,(H,15,18).
What are the key properties of 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103861052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).