N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

C23H25N5O3 — CID 53087698

IUPACN-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C23H25N5O3/c1-31-21-9-3-2-6-17(21)14-25-22(29)18-8-5-11-28(15-18)23(30)20-12-19(26-27-20)16-7-4-10-24-13-16/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyMDVGXHDMZKTEEL-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide

N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (PubChem CID 53087698) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
PubChem CID53087698
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1
InChIInChI=1S/C23H25N5O3/c1-31-21-9-3-2-6-17(21)14-25-22(29)18-8-5-11-28(15-18)23(30)20-12-19(26-27-20)16-7-4-10-24-13-16/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H,25,29)(H,26,27)
InChIKeyMDVGXHDMZKTEEL-UHFFFAOYSA-N
XLogP2.65
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-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

(3S)-N-[(4-fluorophenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069498
N-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53087666
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 53008268
(3R)-N-cyclopropyl-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069495
(3S)-N-[(2S)-butan-2-yl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 93069459
(3S)-N-[(4-methoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044631
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
N-[(2,3-dimethoxyphenyl)methyl]-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 167375269
(3R)-N-(3,4-dimethoxyphenyl)-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 97044608
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765425
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]-(3-pyridin-3-yl-1H-pyrazol-5-yl)methanone
CID 125003762

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide (CID 53087698) is N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(C(=O)c2cc(-c3cccnc3)n[nH]2)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
The InChIKey is MDVGXHDMZKTEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-31-21-9-3-2-6-17(21)14-25-22(29)18-8-5-11-28(15-18)23(30)20-12-19(26-27-20)16-7-4-10-24-13-16/h2-4,6-7,9-10,12-13,18H,5,8,11,14-15H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 53087698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).