N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H19FN6O2 — CID 119849080

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H19FN6O2/c20-13-1-4-16(5-2-13)28-18-6-3-14(11-22-18)23-19(27)17-12-26(25-24-17)15-7-9-21-10-8-15/h1-6,11-12,15,21H,7-10H2,(H,23,27)
InChIKeyGHWBAJIBBMPIHG-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.78
Rot. Bonds5

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119849080) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119849080
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H19FN6O2/c20-13-1-4-16(5-2-13)28-18-6-3-14(11-22-18)23-19(27)17-12-26(25-24-17)15-7-9-21-10-8-15/h1-6,11-12,15,21H,7-10H2,(H,23,27)
InChIKeyGHWBAJIBBMPIHG-UHFFFAOYSA-N
XLogP2.78
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
1-piperidin-4-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)triazole-4-carboxamide;dihydrochloride
CID 119839749
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-[(6-phenoxy-3-pyridinyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119872250
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
N-(2,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673265
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119849080) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is GHWBAJIBBMPIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-13-1-4-16(5-2-13)28-18-6-3-14(11-22-18)23-19(27)17-12-26(25-24-17)15-7-9-21-10-8-15/h1-6,11-12,15,21H,7-10H2,(H,23,27).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119849080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).