3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide

C11H11ClN4O — CID 175833533

IUPAC3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2ncccc2Cl)n1
InChIInChI=1S/C11H11ClN4O/c1-16-6-4-8(15-16)7-14-11(17)10-9(12)3-2-5-13-10/h2-6H,7H2,1H3,(H,14,17)
InChIKeyAFVKFJJMIMPOAT-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.40
Rot. Bonds3

About 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide

3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 175833533) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
PubChem CID175833533
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccc(CNC(=O)c2ncccc2Cl)n1
InChIInChI=1S/C11H11ClN4O/c1-16-6-4-8(15-16)7-14-11(17)10-9(12)3-2-5-13-10/h2-6H,7H2,1H3,(H,14,17)
InChIKeyAFVKFJJMIMPOAT-UHFFFAOYSA-N
XLogP1.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
3-[(2-chlorophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329189
2,4-dichloro-N-[(1-methylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19330894
2-(4-chlorophenoxy)-N-[(1-methylpyrazol-3-yl)methyl]acetamide
CID 19329147
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 19330972
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82872719
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide (CID 175833533) is 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide is Cn1ccc(CNC(=O)c2ncccc2Cl)n1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is AFVKFJJMIMPOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-6-4-8(15-16)7-14-11(17)10-9(12)3-2-5-13-10/h2-6H,7H2,1H3,(H,14,17).
What are the key properties of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide?
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 175833533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).