N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

C22H25N5O — CID 24819197

IUPACN-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1
InChIInChI=1S/C22H25N5O/c1-17-5-2-3-6-19(17)16-26-13-9-20(10-14-26)27-21(8-12-24-27)25-22(28)18-7-4-11-23-15-18/h2-8,11-12,15,20H,9-10,13-14,16H2,1H3,(H,25,28)
InChIKeyUNDMNEFFMNCQAG-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.68
Rot. Bonds5

About N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 24819197) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID24819197
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1
InChIInChI=1S/C22H25N5O/c1-17-5-2-3-6-19(17)16-26-13-9-20(10-14-26)27-21(8-12-24-27)25-22(28)18-7-4-11-23-15-18/h2-8,11-12,15,20H,9-10,13-14,16H2,1H3,(H,25,28)
InChIKeyUNDMNEFFMNCQAG-UHFFFAOYSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide (CID 24819197) is N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccccc1CN1CCC(n2nccc2NC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is UNDMNEFFMNCQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-17-5-2-3-6-19(17)16-26-13-9-20(10-14-26)27-21(8-12-24-27)25-22(28)18-7-4-11-23-15-18/h2-8,11-12,15,20H,9-10,13-14,16H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide?
N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 24819197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).