2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

C34H40N12O4 — CID 142506957

IUPAC2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccccc1C1CC1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H17N5O2.C16H13N7O2.5H2/c1-25-15-8-3-2-6-11(15)12-10-13(12)17(24)21-18-20-16(22-23-18)14-7-4-5-9-19-14;24-13(9-23-12-7-2-1-5-10(12)18-16(23)25)19-15-20-14(21-22-15)11-6-3-4-8-17-11;;;;;/h2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24);1-8H,9H2,(H,18,25)(H2,19,20,21,22,24);5*1H
InChIKeyWUBWOOOPYKDXKI-UHFFFAOYSA-N
MW680.77 g/mol
LogP5.00
Rot. Bonds9

About 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide

2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 142506957) has the molecular formula C34H40N12O4 and a molecular weight of 680.77 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID142506957
Molecular FormulaC34H40N12O4
Molecular Weight680.77 g/mol
Exact Mass680.33
IUPAC Name2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCOc1ccccc1C1CC1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C18H17N5O2.C16H13N7O2.5H2/c1-25-15-8-3-2-6-11(15)12-10-13(12)17(24)21-18-20-16(22-23-18)14-7-4-5-9-19-14;24-13(9-23-12-7-2-1-5-10(12)18-16(23)25)19-15-20-14(21-22-15)11-6-3-4-8-17-11;;;;;/h2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24);1-8H,9H2,(H,18,25)(H2,19,20,21,22,24);5*1H
InChIKeyWUBWOOOPYKDXKI-UHFFFAOYSA-N
XLogP5.00
TPSA214.14 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.77
LogP ≤ 55.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide with MolForge

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Related Compounds

trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
CID 95294636
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265
N-(3-chloro-4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 86997374
trans-(1R,2R)-N-(2-ethoxy-3-pyridinyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 95279310
trans-(1S,2S)-2-(2-methoxyphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 95287527
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99800995
2-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 166352020
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99801001

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide (CID 142506957) is 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is COc1ccccc1C1CC1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cn1c(=O)[nH]c2ccccc21)Nc1n[nH]c(-c2ccccn2)n1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is WUBWOOOPYKDXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2.C16H13N7O2.5H2/c1-25-15-8-3-2-6-11(15)12-10-13(12)17(24)21-18-20-16(22-23-18)14-7-4-5-9-19-14;24-13(9-23-12-7-2-1-5-10(12)18-16(23)25)19-15-20-14(21-22-15)11-6-3-4-8-17-11;;;;;/h2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24);1-8H,9H2,(H,18,25)(H2,19,20,21,22,24);5*1H.
What are the key properties of 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide?
2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 680.77 g/mol, XLogP of 5.00, 9 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide;molecular hydrogen;2-(2-oxo-3H-benzimidazol-1-yl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 142506957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).