2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide

C21H23N5O2 — CID 91904845

IUPAC2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccc[nH]c1=O
InChIInChI=1S/C21H23N5O2/c27-20-17(7-4-10-22-20)21(28)23-14-15-8-11-26(12-9-15)19-13-18(24-25-19)16-5-2-1-3-6-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,27)(H,23,28)(H,24,25)
InChIKeyXHQPKPXDJXMZCC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.41
Rot. Bonds5

About 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide

2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 91904845) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID91904845
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccc[nH]c1=O
InChIInChI=1S/C21H23N5O2/c27-20-17(7-4-10-22-20)21(28)23-14-15-8-11-26(12-9-15)19-13-18(24-25-19)16-5-2-1-3-6-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,27)(H,23,28)(H,24,25)
InChIKeyXHQPKPXDJXMZCC-UHFFFAOYSA-N
XLogP2.41
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide (CID 91904845) is 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is XHQPKPXDJXMZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-17(7-4-10-22-20)21(28)23-14-15-8-11-26(12-9-15)19-13-18(24-25-19)16-5-2-1-3-6-16/h1-7,10,13,15H,8-9,11-12,14H2,(H,22,27)(H,23,28)(H,24,25).
What are the key properties of 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91904845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).