4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide

C21H20N6O2 — CID 127038604

IUPAC4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)Nc3cc(-c4ccccn4)[nH]n3)CC2)cc1
InChIInChI=1S/C21H20N6O2/c22-14-15-4-6-16(7-5-15)29-17-8-11-27(12-9-17)21(28)24-20-13-19(25-26-20)18-3-1-2-10-23-18/h1-7,10,13,17H,8-9,11-12H2,(H2,24,25,26,28)
InChIKeyHLACLWSFBGESKM-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.42
Rot. Bonds4

About 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide

4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 127038604) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
PubChem CID127038604
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESN#Cc1ccc(OC2CCN(C(=O)Nc3cc(-c4ccccn4)[nH]n3)CC2)cc1
InChIInChI=1S/C21H20N6O2/c22-14-15-4-6-16(7-5-15)29-17-8-11-27(12-9-17)21(28)24-20-13-19(25-26-20)18-3-1-2-10-23-18/h1-7,10,13,17H,8-9,11-12H2,(H2,24,25,26,28)
InChIKeyHLACLWSFBGESKM-UHFFFAOYSA-N
XLogP3.42
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide (CID 127038604) is 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide is N#Cc1ccc(OC2CCN(C(=O)Nc3cc(-c4ccccn4)[nH]n3)CC2)cc1.
What is the InChIKey of 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is HLACLWSFBGESKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c22-14-15-4-6-16(7-5-15)29-17-8-11-27(12-9-17)21(28)24-20-13-19(25-26-20)18-3-1-2-10-23-18/h1-7,10,13,17H,8-9,11-12H2,(H2,24,25,26,28).
What are the key properties of 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127038604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).