5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

C22H21N5O3 — CID 123513226

IUPAC5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)cn1
InChIInChI=1S/C22H21N5O3/c23-21(29)19-7-4-17(14-24-19)22(30)26-12-8-16(9-13-26)20(28)15-2-5-18(6-3-15)27-11-1-10-25-27/h1-7,10-11,14,16H,8-9,12-13H2,(H2,23,29)
InChIKeyRTJVVKSECNWRFQ-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.10
Rot. Bonds5

About 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide

5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 123513226) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID123513226
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)cn1
InChIInChI=1S/C22H21N5O3/c23-21(29)19-7-4-17(14-24-19)22(30)26-12-8-16(9-13-26)20(28)15-2-5-18(6-3-15)27-11-1-10-25-27/h1-7,10-11,14,16H,8-9,12-13H2,(H2,23,29)
InChIKeyRTJVVKSECNWRFQ-UHFFFAOYSA-N
XLogP2.10
TPSA111.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide (CID 123513226) is 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is NC(=O)c1ccc(C(=O)N2CCC(C(=O)c3ccc(-n4cccn4)cc3)CC2)cn1.
What is the InChIKey of 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is RTJVVKSECNWRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c23-21(29)19-7-4-17(14-24-19)22(30)26-12-8-16(9-13-26)20(28)15-2-5-18(6-3-15)27-11-1-10-25-27/h1-7,10-11,14,16H,8-9,12-13H2,(H2,23,29).
What are the key properties of 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide?
5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-pyrazol-1-ylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 123513226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).