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

C12H12ClN3O — CID 103873581

IUPAC4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H12ClN3O/c1-16-6-2-3-9(16)7-15-12(17)10-8-14-5-4-11(10)13/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyDOFOJSVPRGLXGS-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.00
Rot. Bonds3

About 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide

4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 103873581) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID103873581
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
SMILESCn1cccc1CNC(=O)c1cnccc1Cl
InChIInChI=1S/C12H12ClN3O/c1-16-6-2-3-9(16)7-15-12(17)10-8-14-5-4-11(10)13/h2-6,8H,7H2,1H3,(H,15,17)
InChIKeyDOFOJSVPRGLXGS-UHFFFAOYSA-N
XLogP2.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-4-carboxamide
CID 103713431
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103734127
4-chloro-N-[(4-methylthiophen-3-yl)methyl]pyridine-3-carboxamide
CID 81233279
4-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-3-carboxamide
CID 81232495
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide (CID 103873581) is 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide is Cn1cccc1CNC(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is DOFOJSVPRGLXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-16-6-2-3-9(16)7-15-12(17)10-8-14-5-4-11(10)13/h2-6,8H,7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 103873581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).