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

C20H20FN5O — CID 91914553

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccncc1
InChIInChI=1S/C20H20FN5O/c21-16-5-3-14(4-6-16)18-12-19(25-24-18)26-11-1-2-17(13-26)23-20(27)15-7-9-22-10-8-15/h3-10,12,17H,1-2,11,13H2,(H,23,27)(H,24,25)
InChIKeyLZAIWPIMSKXFBX-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.01
Rot. Bonds4

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

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 91914553) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide
PubChem CID91914553
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccncc1
InChIInChI=1S/C20H20FN5O/c21-16-5-3-14(4-6-16)18-12-19(25-24-18)26-11-1-2-17(13-26)23-20(27)15-7-9-22-10-8-15/h3-10,12,17H,1-2,11,13H2,(H,23,27)(H,24,25)
InChIKeyLZAIWPIMSKXFBX-UHFFFAOYSA-N
XLogP3.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.01
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-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide (CID 91914553) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide is O=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccncc1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is LZAIWPIMSKXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c21-16-5-3-14(4-6-16)18-12-19(25-24-18)26-11-1-2-17(13-26)23-20(27)15-7-9-22-10-8-15/h3-10,12,17H,1-2,11,13H2,(H,23,27)(H,24,25).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.01, 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-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91914553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).