N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

C22H26ClN5O2 — CID 75551300

IUPACN-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCCN(C(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C22H26ClN5O2/c23-17-8-2-1-6-15(17)13-25-21(29)16-7-5-11-28(14-16)22(30)20-12-19(26-27-20)18-9-3-4-10-24-18/h1-4,6,8-10,16,19-20,26-27H,5,7,11-14H2,(H,25,29)
InChIKeyTXDPGDNFDGWXEH-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.20
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 75551300) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID75551300
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCCN(C(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C22H26ClN5O2/c23-17-8-2-1-6-15(17)13-25-21(29)16-7-5-11-28(14-16)22(30)20-12-19(26-27-20)18-9-3-4-10-24-18/h1-4,6,8-10,16,19-20,26-27H,5,7,11-14H2,(H,25,29)
InChIKeyTXDPGDNFDGWXEH-UHFFFAOYSA-N
XLogP2.20
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551292
N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75188110
N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551253
ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 75551257
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266
N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551296
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
CID 75255093
[2-(4-chlorophenyl)morpholin-4-yl]-(5-pyridin-2-ylpyrazolidin-3-yl)methanone
CID 133108026
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803849

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (CID 75551300) is N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)C1CCCN(C(=O)C2CC(c3ccccn3)NN2)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is TXDPGDNFDGWXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c23-17-8-2-1-6-15(17)13-25-21(29)16-7-5-11-28(14-16)22(30)20-12-19(26-27-20)18-9-3-4-10-24-18/h1-4,6,8-10,16,19-20,26-27H,5,7,11-14H2,(H,25,29).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75551300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).