6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide

C23H27ClN4O2 — CID 59764888

IUPAC6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1cccc(Cl)n1
InChIInChI=1S/C23H27ClN4O2/c24-21-8-4-7-20(26-21)23(30)25-15-22(29)28-14-11-19(16-28)27-12-9-18(10-13-27)17-5-2-1-3-6-17/h1-8,18-19H,9-16H2,(H,25,30)
InChIKeyAZMYHVCFFKVSIL-UHFFFAOYSA-N
MW426.95 g/mol
LogP2.95
Rot. Bonds5

About 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide

6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide (PubChem CID 59764888) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide
PubChem CID59764888
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1cccc(Cl)n1
InChIInChI=1S/C23H27ClN4O2/c24-21-8-4-7-20(26-21)23(30)25-15-22(29)28-14-11-19(16-28)27-12-9-18(10-13-27)17-5-2-1-3-6-17/h1-8,18-19H,9-16H2,(H,25,30)
InChIKeyAZMYHVCFFKVSIL-UHFFFAOYSA-N
XLogP2.95
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 69029208
2,4-dichloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 59764745
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 59764794
N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 59764809
methyl 4-[[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]carbamoyl]benzoate
CID 59764913
3,4-dichloro-N-[2-[(3R)-3-[4-(2-hydroxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 69228795
3,4-dichloro-N-[2-[3-[4-(4-cyanophenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 59764905
2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone
CID 59764758
N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
1-[1-[2-[(3,4-dichlorobenzoyl)amino]acetyl]pyrrolidin-3-yl]piperidine-4-carboxamide
CID 59764780
N-[2-[3-(4-acetylpiperazin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dichlorobenzamide
CID 59764623
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide (CID 59764888) is 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide is O=C(NCC(=O)N1CCC(N2CCC(c3ccccc3)CC2)C1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is AZMYHVCFFKVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-21-8-4-7-20(26-21)23(30)25-15-22(29)28-14-11-19(16-28)27-12-9-18(10-13-27)17-5-2-1-3-6-17/h1-8,18-19H,9-16H2,(H,25,30).
What are the key properties of 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide?
6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 426.95 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 59764888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).