1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride

C19H23Cl2N3O2 — CID 119537978

IUPAC1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2.ClH/c20-17-4-2-1-3-15(17)12-23-13-16(5-6-18(23)24)19(25)22-10-8-14-7-9-21-11-14;/h1-6,13-14,21H,7-12H2,(H,22,25);1H
InChIKeyZTHHOJDINWPOTO-UHFFFAOYSA-N
MW396.32 g/mol
LogP2.70
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride

1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride (PubChem CID 119537978) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
PubChem CID119537978
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClN3O2.ClH/c20-17-4-2-1-3-15(17)12-23-13-16(5-6-18(23)24)19(25)22-10-8-14-7-9-21-11-14;/h1-6,13-14,21H,7-12H2,(H,22,25);1H
InChIKeyZTHHOJDINWPOTO-UHFFFAOYSA-N
XLogP2.70
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-6-oxo-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119454148
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
1-[(2-chlorophenyl)methyl]-6-oxo-N-piperidin-4-yl-N-propylpyridine-3-carboxamide;hydrochloride
CID 119826213
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
N-[2-(1-benzothiophen-3-yl)ethyl]-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carboxamide
CID 112837119
2-(2-chloro-6-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63623426
4-N,4-N-dimethyl-1-N-(2-pyrrolidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119537522
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
1-[(2-chlorophenyl)methyl]-6-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 18128601

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride (CID 119537978) is 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride?
The InChIKey is ZTHHOJDINWPOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c20-17-4-2-1-3-15(17)12-23-13-16(5-6-18(23)24)19(25)22-10-8-14-7-9-21-11-14;/h1-6,13-14,21H,7-12H2,(H,22,25);1H.
What are the key properties of 1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride?
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 2.70, 6 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-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119537978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).