2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

C34H29N11O4 — CID 145341931

IUPAC2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESN#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H17N5O2.C16H12N6O2/c24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13/h1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24);1-8H,10H2,(H2,19,20,21,22,23)
InChIKeyOMHGODKYMIFBQO-UHFFFAOYSA-N
MW655.68 g/mol
LogP4.66
Rot. Bonds11

About 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide

2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (PubChem CID 145341931) has the molecular formula C34H29N11O4 and a molecular weight of 655.68 g/mol. Its IUPAC name is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
PubChem CID145341931
Molecular FormulaC34H29N11O4
Molecular Weight655.68 g/mol
Exact Mass655.24
IUPAC Name2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
SMILESN#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C18H17N5O2.C16H12N6O2/c24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13/h1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24);1-8H,10H2,(H2,19,20,21,22,23)
InChIKeyOMHGODKYMIFBQO-UHFFFAOYSA-N
XLogP4.66
TPSA209.37 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.68
LogP ≤ 54.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide with MolForge

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Related Compounds

US10940139, Example 02511
CID 47925593
4-[(1-methylimidazol-2-yl)methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 47057831
4-pyridin-3-yloxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 48002717
4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 51092029
4-[2-oxo-2-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)amino]ethoxy]benzamide
CID 51096858
4-phenoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 51116147
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 51120286
2-(4-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 75466736
2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 75479431
5-[[2-oxo-4-[6-[3-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]-1H-1,2,4-triazol-5-yl]-3-pyridinyl]-1-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 129301395
6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 129301406
4-[[2-[6-[3-[[2-(3-cyanophenoxy)acetyl]amino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]cyclopropyl]methoxy]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 129301407

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide (CID 145341931) is 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is N#Cc1cccc(OCC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
The InChIKey is OMHGODKYMIFBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2.C16H12N6O2/c24-17(13-6-8-14(9-7-13)25-11-12-4-5-12)21-18-20-16(22-23-18)15-3-1-2-10-19-15;17-9-11-4-3-5-12(8-11)24-10-14(23)19-16-20-15(21-22-16)13-6-1-2-7-18-13/h1-3,6-10,12H,4-5,11H2,(H2,20,21,22,23,24);1-8H,10H2,(H2,19,20,21,22,23).
What are the key properties of 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide?
2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide has a molecular weight of 655.68 g/mol, XLogP of 4.66, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanophenoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide;4-(cyclopropylmethoxy)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 145341931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).