N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide

C18H16N6O2 — CID 75371233

IUPACN-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESN#Cc1cccnc1Oc1ccc(NC(=O)CCCn2cncn2)cc1
InChIInChI=1S/C18H16N6O2/c19-11-14-3-1-9-21-18(14)26-16-7-5-15(6-8-16)23-17(25)4-2-10-24-13-20-12-22-24/h1,3,5-9,12-13H,2,4,10H2,(H,23,25)
InChIKeyUHRBWIRRXBJXKK-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.76
Rot. Bonds7

About N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide

N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 75371233) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID75371233
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC NameN-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESN#Cc1cccnc1Oc1ccc(NC(=O)CCCn2cncn2)cc1
InChIInChI=1S/C18H16N6O2/c19-11-14-3-1-9-21-18(14)26-16-7-5-15(6-8-16)23-17(25)4-2-10-24-13-20-12-22-24/h1,3,5-9,12-13H,2,4,10H2,(H,23,25)
InChIKeyUHRBWIRRXBJXKK-UHFFFAOYSA-N
XLogP2.76
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2H-tetrazol-5-yloxy)phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131920439
2-[4-[3-(1,2,4-triazol-1-yl)propanoylamino]phenoxy]acetic acid
CID 62034643
N-(3,4-difluorophenyl)-4-(1,2,4-triazol-1-yl)butanamide
CID 86822852
4-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid
CID 28788777
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
N-[4-(phenylcarbamoylamino)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24676944
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-(4-cyanophenyl)-4-(3-cyano-1,2,4-triazol-1-yl)butanamide
CID 62951042
N-(3-chloro-2-pyridinyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 103094459
[4-(4-cyanophenyl)phenyl] 4-(1,2,4-triazol-1-yl)butanoate
CID 166204348
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 60504074
4-(1,2,4-triazol-1-yl)butanehydrazide
CID 63572043

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 75371233) is N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide is N#Cc1cccnc1Oc1ccc(NC(=O)CCCn2cncn2)cc1.
What is the InChIKey of N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is UHRBWIRRXBJXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-11-14-3-1-9-21-18(14)26-16-7-5-15(6-8-16)23-17(25)4-2-10-24-13-20-12-22-24/h1,3,5-9,12-13H,2,4,10H2,(H,23,25).
What are the key properties of N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 348.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-cyano-2-pyridinyl)oxy]phenyl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 75371233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).