1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide

C17H18ClN3O2 — CID 119454148

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClN3O2/c18-15-4-2-1-3-12(15)10-21-11-13(5-6-16(21)22)17(23)20-14-7-8-19-9-14/h1-6,11,14,19H,7-10H2,(H,20,23)
InChIKeyCNXGEBDQPFAVNI-UHFFFAOYSA-N
MW331.80 g/mol
LogP1.64
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide (PubChem CID 119454148) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
PubChem CID119454148
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
SMILESO=C(NC1CCNC1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C17H18ClN3O2/c18-15-4-2-1-3-12(15)10-21-11-13(5-6-16(21)22)17(23)20-14-7-8-19-9-14/h1-6,11,14,19H,7-10H2,(H,20,23)
InChIKeyCNXGEBDQPFAVNI-UHFFFAOYSA-N
XLogP1.64
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
CID 119537978
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
CID 119826213
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
N-benzyl-1-[1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]piperidine-4-carboxamide
CID 24550444
N-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 66519955

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide (CID 119454148) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide is O=C(NC1CCNC1)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide?
The InChIKey is CNXGEBDQPFAVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-4-2-1-3-12(15)10-21-11-13(5-6-16(21)22)17(23)20-14-7-8-19-9-14/h1-6,11,14,19H,7-10H2,(H,20,23).
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 119454148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).