N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C23H18N6O2 — CID 112843389

IUPACN-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESN#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-n4cncn4)nc3)c2)cc1
InChIInChI=1S/C23H18N6O2/c24-11-10-17-4-7-21(8-5-17)31-14-18-2-1-3-20(12-18)28-23(30)19-6-9-22(26-13-19)29-16-25-15-27-29/h1-9,12-13,15-16H,10,14H2,(H,28,30)
InChIKeyJDQIASYDOLLUDV-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.56
Rot. Bonds7

About N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 112843389) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID112843389
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC NameN-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESN#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-n4cncn4)nc3)c2)cc1
InChIInChI=1S/C23H18N6O2/c24-11-10-17-4-7-21(8-5-17)31-14-18-2-1-3-20(12-18)28-23(30)19-6-9-22(26-13-19)29-16-25-15-27-29/h1-9,12-13,15-16H,10,14H2,(H,28,30)
InChIKeyJDQIASYDOLLUDV-UHFFFAOYSA-N
XLogP3.56
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 87005435
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]quinoline-4-carboxamide
CID 112836203
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
N-[4-(cyanomethyl)phenyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 33427699
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]cyclopentanecarboxamide
CID 154833379
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78901674
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 112843389) is N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is N#CCc1ccc(OCc2cccc(NC(=O)c3ccc(-n4cncn4)nc3)c2)cc1.
What is the InChIKey of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is JDQIASYDOLLUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2/c24-11-10-17-4-7-21(8-5-17)31-14-18-2-1-3-20(12-18)28-23(30)19-6-9-22(26-13-19)29-16-25-15-27-29/h1-9,12-13,15-16H,10,14H2,(H,28,30).
What are the key properties of N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyanomethyl)phenoxy]methyl]phenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112843389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).