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

C20H21N5O — CID 75528153

IUPACN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccnc1
InChIInChI=1S/C20H21N5O/c26-20(16-7-4-10-21-14-16)22-17-8-11-25(12-9-17)19-13-18(23-24-19)15-5-2-1-3-6-15/h1-7,10,13-14,17H,8-9,11-12H2,(H,22,26)(H,23,24)
InChIKeyYPZKYQIYOUXDNT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.87
Rot. Bonds4

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

N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 75528153) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID75528153
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccnc1
InChIInChI=1S/C20H21N5O/c26-20(16-7-4-10-21-14-16)22-17-8-11-25(12-9-17)19-13-18(23-24-19)15-5-2-1-3-6-15/h1-7,10,13-14,17H,8-9,11-12H2,(H,22,26)(H,23,24)
InChIKeyYPZKYQIYOUXDNT-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 75528153) is N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccnc1.
What is the InChIKey of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is YPZKYQIYOUXDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(16-7-4-10-21-14-16)22-17-8-11-25(12-9-17)19-13-18(23-24-19)15-5-2-1-3-6-15/h1-7,10,13-14,17H,8-9,11-12H2,(H,22,26)(H,23,24).
What are the key properties of N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 75528153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).