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

C18H20ClN3O2 — CID 110623981

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H20ClN3O2/c19-15-5-3-4-13(10-15)16(22-8-1-2-9-22)12-21-18(24)14-6-7-17(23)20-11-14/h3-7,10-11,16H,1-2,8-9,12H2,(H,20,23)(H,21,24)
InChIKeyCKZMDXJGEXROQI-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.60
Rot. Bonds5

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

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110623981) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110623981
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C18H20ClN3O2/c19-15-5-3-4-13(10-15)16(22-8-1-2-9-22)12-21-18(24)14-6-7-17(23)20-11-14/h3-7,10-11,16H,1-2,8-9,12H2,(H,20,23)(H,21,24)
InChIKeyCKZMDXJGEXROQI-UHFFFAOYSA-N
XLogP2.60
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47081658
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 55841557
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 95570380
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 17011556
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55658973
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55763588
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(ethylsulfamoyl)benzamide
CID 55967220
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110622327
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110623981) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC(c1cccc(Cl)c1)N1CCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CKZMDXJGEXROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c19-15-5-3-4-13(10-15)16(22-8-1-2-9-22)12-21-18(24)14-6-7-17(23)20-11-14/h3-7,10-11,16H,1-2,8-9,12H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110623981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).