2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

C21H23N5O — CID 53181010

IUPAC2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccncc3)[nH]n2)C1
InChIInChI=1S/C21H23N5O/c1-15-5-2-3-7-18(15)21(27)23-17-6-4-12-26(14-17)20-13-19(24-25-20)16-8-10-22-11-9-16/h2-3,5,7-11,13,17H,4,6,12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyAUVKPNWLJMFOGM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.18
Rot. Bonds4

About 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (PubChem CID 53181010) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
PubChem CID53181010
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccncc3)[nH]n2)C1
InChIInChI=1S/C21H23N5O/c1-15-5-2-3-7-18(15)21(27)23-17-6-4-12-26(14-17)20-13-19(24-25-20)16-8-10-22-11-9-16/h2-3,5,7-11,13,17H,4,6,12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyAUVKPNWLJMFOGM-UHFFFAOYSA-N
XLogP3.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (CID 53181010) is 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is Cc1ccccc1C(=O)NC1CCCN(c2cc(-c3ccncc3)[nH]n2)C1.
What is the InChIKey of 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The InChIKey is AUVKPNWLJMFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-5-2-3-7-18(15)21(27)23-17-6-4-12-26(14-17)20-13-19(24-25-20)16-8-10-22-11-9-16/h2-3,5,7-11,13,17H,4,6,12,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 53181010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).