N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

C23H29N5O2 — CID 75551387

IUPACN-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccncc4)NN3)C2)c(C)c1
InChIInChI=1S/C23H29N5O2/c1-15-5-6-19(16(2)12-15)25-22(29)18-4-3-11-28(14-18)23(30)21-13-20(26-27-21)17-7-9-24-10-8-17/h5-10,12,18,20-21,26-27H,3-4,11,13-14H2,1-2H3,(H,25,29)
InChIKeyBIIFJYRCVWFXNF-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.48
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 75551387) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID75551387
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccncc4)NN3)C2)c(C)c1
InChIInChI=1S/C23H29N5O2/c1-15-5-6-19(16(2)12-15)25-22(29)18-4-3-11-28(14-18)23(30)21-13-20(26-27-21)17-7-9-24-10-8-17/h5-10,12,18,20-21,26-27H,3-4,11,13-14H2,1-2H3,(H,25,29)
InChIKeyBIIFJYRCVWFXNF-UHFFFAOYSA-N
XLogP2.48
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-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-methoxy-5-methylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551381
3-[1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 134081008
(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
N-(2,4-dimethylphenyl)-1-(2-fluorobenzoyl)piperidine-3-carboxamide
CID 50803874
1-(3,4-dichlorobenzoyl)-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 55631455
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266
(3S)-N-(2,4-dimethylphenyl)-1-[(2S)-3-oxo-4H-1,4-benzothiazine-2-carbonyl]piperidine-3-carboxamide
CID 92896549
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178
N-(2,4-dimethylphenyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203904
(3S)-N-(2,4-dimethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069895
(3R)-N-(4-chloro-2-methylphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082776

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (CID 75551387) is N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccncc4)NN3)C2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is BIIFJYRCVWFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-5-6-19(16(2)12-15)25-22(29)18-4-3-11-28(14-18)23(30)21-13-20(26-27-21)17-7-9-24-10-8-17/h5-10,12,18,20-21,26-27H,3-4,11,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 2.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(5-pyridin-4-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75551387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).