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

C13H14ClN3O — CID 134794837

IUPAC6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(Cc1cccn1C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H14ClN3O/c1-16-7-3-4-11(16)9-17(2)13(18)10-5-6-12(14)15-8-10/h3-8H,9H2,1-2H3
InChIKeyJPDBJPQHMDVHSD-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.35
Rot. Bonds3

About 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide

6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 134794837) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID134794837
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
SMILESCN(Cc1cccn1C)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H14ClN3O/c1-16-7-3-4-11(16)9-17(2)13(18)10-5-6-12(14)15-8-10/h3-8H,9H2,1-2H3
InChIKeyJPDBJPQHMDVHSD-UHFFFAOYSA-N
XLogP2.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide (CID 134794837) is 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide is CN(Cc1cccn1C)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is JPDBJPQHMDVHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-16-7-3-4-11(16)9-17(2)13(18)10-5-6-12(14)15-8-10/h3-8H,9H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide?
6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 263.73 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 134794837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).