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

C20H20ClN5O — CID 91887800

IUPACN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccccn1
InChIInChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)18-12-19(25-24-18)26-11-3-4-16(13-26)23-20(27)17-5-1-2-10-22-17/h1-2,5-10,12,16H,3-4,11,13H2,(H,23,27)(H,24,25)
InChIKeySSVBVMZODXVTDM-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.52
Rot. Bonds4

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

N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 91887800) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
PubChem CID91887800
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccccn1
InChIInChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)18-12-19(25-24-18)26-11-3-4-16(13-26)23-20(27)17-5-1-2-10-22-17/h1-2,5-10,12,16H,3-4,11,13H2,(H,23,27)(H,24,25)
InChIKeySSVBVMZODXVTDM-UHFFFAOYSA-N
XLogP3.52
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide (CID 91887800) is N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide is O=C(NC1CCCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)C1)c1ccccn1.
What is the InChIKey of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is SSVBVMZODXVTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-15-8-6-14(7-9-15)18-12-19(25-24-18)26-11-3-4-16(13-26)23-20(27)17-5-1-2-10-22-17/h1-2,5-10,12,16H,3-4,11,13H2,(H,23,27)(H,24,25).
What are the key properties of N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide?
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91887800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).