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

C12H16ClN3O — CID 134434405

IUPAC3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ncccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-16-6-4-9(8-16)7-15-12(17)11-10(13)3-2-5-14-11/h2-3,5,9H,4,6-8H2,1H3,(H,15,17)
InChIKeyOAEWWTNOJMIKFR-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.42
Rot. Bonds3

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

3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide (PubChem CID 134434405) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
PubChem CID134434405
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
SMILESCN1CCC(CNC(=O)c2ncccc2Cl)C1
InChIInChI=1S/C12H16ClN3O/c1-16-6-4-9(8-16)7-15-12(17)11-10(13)3-2-5-14-11/h2-3,5,9H,4,6-8H2,1H3,(H,15,17)
InChIKeyOAEWWTNOJMIKFR-UHFFFAOYSA-N
XLogP1.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62181266
5-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazine-2-carboxamide
CID 103803729
2-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
4-bromo-3-chloro-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]benzamide
CID 124572243
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
CID 170671139
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
N-[(1-methylpyrrolidin-3-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110746157
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-pyridin-3-yloxyacetamide
CID 95212752

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide (CID 134434405) is 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide is CN1CCC(CNC(=O)c2ncccc2Cl)C1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide?
The InChIKey is OAEWWTNOJMIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-16-6-4-9(8-16)7-15-12(17)11-10(13)3-2-5-14-11/h2-3,5,9H,4,6-8H2,1H3,(H,15,17).
What are the key properties of 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide?
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 134434405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).