2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C35H30N12O3 — CID 145341891

IUPAC2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESN#CCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(CCn1ccc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6O.C17H14N6O2/c25-16(9-12-24-11-8-13-5-1-2-7-15(13)24)20-18-21-17(22-23-18)14-6-3-4-10-19-14;18-9-8-12-4-6-13(7-5-12)25-11-15(24)20-17-21-16(22-23-17)14-3-1-2-10-19-14/h1-8,10-11H,9,12H2,(H2,20,21,22,23,25);1-7,10H,8,11H2,(H2,20,21,22,23,24)
InChIKeySAXKZYXMZQIKGT-UHFFFAOYSA-N
MW666.71 g/mol
LogP4.80
Rot. Bonds11

About 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 145341891) has the molecular formula C35H30N12O3 and a molecular weight of 666.71 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID145341891
Molecular FormulaC35H30N12O3
Molecular Weight666.71 g/mol
Exact Mass666.26
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESN#CCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(CCn1ccc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H16N6O.C17H14N6O2/c25-16(9-12-24-11-8-13-5-1-2-7-15(13)24)20-18-21-17(22-23-18)14-6-3-4-10-19-14;18-9-8-12-4-6-13(7-5-12)25-11-15(24)20-17-21-16(22-23-17)14-3-1-2-10-19-14/h1-8,10-11H,9,12H2,(H2,20,21,22,23,25);1-7,10H,8,11H2,(H2,20,21,22,23,24)
InChIKeySAXKZYXMZQIKGT-UHFFFAOYSA-N
XLogP4.80
TPSA205.07 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.71
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide with MolForge

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Related Compounds

2-[4-(3-indol-1-ylpropoxy)phenyl]acetonitrile
CID 11162092
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;3-(4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide;6-oxo-1-(2-phenoxyethyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridazine-3-carboxamide;3-phenyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide;4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 161056711
3-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 41164524
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
3-(2-methylpropoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51087375
(2R)-2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 94139491
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(1,3-thiazol-2-yl)propanamide
CID 51092030
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
3-(2-hydroxy-4-oxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 146521985
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 167880699
2-[(2-chlorophenyl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 47057837

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 145341891) is 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is N#CCc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1.O=C(CCn1ccc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is SAXKZYXMZQIKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C17H14N6O2/c25-16(9-12-24-11-8-13-5-1-2-7-15(13)24)20-18-21-17(22-23-18)14-6-3-4-10-19-14;18-9-8-12-4-6-13(7-5-12)25-11-15(24)20-17-21-16(22-23-17)14-3-1-2-10-19-14/h1-8,10-11H,9,12H2,(H2,20,21,22,23,25);1-7,10H,8,11H2,(H2,20,21,22,23,24).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 666.71 g/mol, XLogP of 4.80, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;3-indol-1-yl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 145341891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).