N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide

C20H29ClN4O — CID 134125918

IUPACN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(NCC1CCCN2CCCCC12)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C20H29ClN4O/c21-16-8-6-14(7-9-16)17-12-18(24-23-17)20(26)22-13-15-4-3-11-25-10-2-1-5-19(15)25/h6-9,15,17-19,23-24H,1-5,10-13H2,(H,22,26)
InChIKeyGCLDYJSEUCVELP-UHFFFAOYSA-N
MW376.93 g/mol
LogP2.63
Rot. Bonds4

About N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide

N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide (PubChem CID 134125918) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
PubChem CID134125918
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC NameN-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
SMILESO=C(NCC1CCCN2CCCCC12)C1CC(c2ccc(Cl)cc2)NN1
InChIInChI=1S/C20H29ClN4O/c21-16-8-6-14(7-9-16)17-12-18(24-23-17)20(26)22-13-15-4-3-11-25-10-2-1-5-19(15)25/h6-9,15,17-19,23-24H,1-5,10-13H2,(H,22,26)
InChIKeyGCLDYJSEUCVELP-UHFFFAOYSA-N
XLogP2.63
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 56686011
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]cyclohexanecarboxamide
CID 71277091
N-[(4-chlorophenyl)methyl]-5-(4-methylphenyl)pyrazolidine-3-carboxamide
CID 75605889
5-(4-chlorophenyl)-N-[(4-ethylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75085820
1-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-4-carboxamide
CID 74601974
5-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75255150
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(6-chloroindol-1-yl)propanamide
CID 163053407
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 99995046
(3S)-N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 100899532
1-[2-[[5-(4-hydroxyphenyl)pyrazolidine-3-carbonyl]amino]ethyl]piperidine-3-carboxamide
CID 134080643
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-6-chloro-1-benzothiophene-2-carboxamide
CID 75465352
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(5-chlorobenzotriazol-2-yl)acetamide
CID 10044149

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide (CID 134125918) is N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide is O=C(NCC1CCCN2CCCCC12)C1CC(c2ccc(Cl)cc2)NN1.
What is the InChIKey of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
The InChIKey is GCLDYJSEUCVELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c21-16-8-6-14(7-9-16)17-12-18(24-23-17)20(26)22-13-15-4-3-11-25-10-2-1-5-19(15)25/h6-9,15,17-19,23-24H,1-5,10-13H2,(H,22,26).
What are the key properties of N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide?
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide has a molecular weight of 376.93 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 134125918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).