5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide

C11H11BrN4O — CID 62998781

IUPAC5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c1-16-9(4-5-15-16)7-14-11(17)10-3-2-8(12)6-13-10/h2-6H,7H2,1H3,(H,14,17)
InChIKeyFCVISGNDPMBQIZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.51
Rot. Bonds3

About 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide

5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 62998781) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID62998781
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1nccc1CNC(=O)c1ccc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c1-16-9(4-5-15-16)7-14-11(17)10-3-2-8(12)6-13-10/h2-6H,7H2,1H3,(H,14,17)
InChIKeyFCVISGNDPMBQIZ-UHFFFAOYSA-N
XLogP1.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1-methylpyrrol-3-yl)methyl]pyridine-2-carboxamide
CID 103722013
4-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 47466003
1,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19279664
3-bromo-5-chloro-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 103826536
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]pyridine-2-carboxamide
CID 62998517
5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-2-carboxamide
CID 106399959
5-bromo-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62954782
5-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 113245137
N-[(2-ethylpyrazol-3-yl)methyl]-5-hydroxypyridine-2-carboxamide
CID 154869970
5-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011437
6-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 63303779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide (CID 62998781) is 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide is Cn1nccc1CNC(=O)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is FCVISGNDPMBQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16-9(4-5-15-16)7-14-11(17)10-3-2-8(12)6-13-10/h2-6H,7H2,1H3,(H,14,17).
What are the key properties of 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62998781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).