6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

C11H14ClN3O — CID 47375161

IUPAC6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H14ClN3O/c1-15-5-4-9(7-15)14-11(16)8-2-3-10(12)13-6-8/h2-3,6,9H,4-5,7H2,1H3,(H,14,16)
InChIKeyMAXOORKCTCOOAU-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.17
Rot. Bonds2

About 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide

6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (PubChem CID 47375161) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
PubChem CID47375161
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H14ClN3O/c1-15-5-4-9(7-15)14-11(16)8-2-3-10(12)13-6-8/h2-3,6,9H,4-5,7H2,1H3,(H,14,16)
InChIKeyMAXOORKCTCOOAU-UHFFFAOYSA-N
XLogP1.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide
CID 54950034
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
6-chloro-N-(3-methoxycyclobutyl)pyridine-3-carboxamide
CID 104578722
methyl 4-[(6-chloropyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 115617107
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
4-[(1-methylpyrrolidin-3-yl)carbamoyl]benzenesulfonyl fluoride
CID 156645477
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
6-[(1-methylpyrrolidin-3-yl)amino]pyridine-3-carboxylic acid
CID 61465352
6-chloro-N-(3-ethoxycyclobutyl)pyridine-3-carboxamide
CID 102610570

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide (CID 47375161) is 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is CN1CCC(NC(=O)c2ccc(Cl)nc2)C1.
What is the InChIKey of 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
The InChIKey is MAXOORKCTCOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-15-5-4-9(7-15)14-11(16)8-2-3-10(12)13-6-8/h2-3,6,9H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide?
6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-methylpyrrolidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 47375161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).