5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

C10H9BrN4O — CID 18152573

IUPAC5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCn1ccc(NC(=O)c2cncc(Br)c2)n1
InChIInChI=1S/C10H9BrN4O/c1-15-3-2-9(14-15)13-10(16)7-4-8(11)6-12-5-7/h2-6H,1H3,(H,13,14,16)
InChIKeyKEMIHRDJJFQKGN-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.83
Rot. Bonds2

About 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide

5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 18152573) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
PubChem CID18152573
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCn1ccc(NC(=O)c2cncc(Br)c2)n1
InChIInChI=1S/C10H9BrN4O/c1-15-3-2-9(14-15)13-10(16)7-4-8(11)6-12-5-7/h2-6H,1H3,(H,13,14,16)
InChIKeyKEMIHRDJJFQKGN-UHFFFAOYSA-N
XLogP1.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-bromo-N-(1-methylpyrazol-3-yl)benzamide
CID 61104249
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CID 4865337
5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
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4-bromo-N-(1-methylpyrazol-3-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 60808516
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152749
5-bromo-N-(5-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 43806322
5-bromo-N-(5-ethyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 47423228
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 107574886
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637
5-bromo-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 29367937

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide (CID 18152573) is 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is Cn1ccc(NC(=O)c2cncc(Br)c2)n1.
What is the InChIKey of 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is KEMIHRDJJFQKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-15-3-2-9(14-15)13-10(16)7-4-8(11)6-12-5-7/h2-6H,1H3,(H,13,14,16).
What are the key properties of 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide?
5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 18152573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).