trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

C18H17N5O2 — CID 95294636

IUPACtrans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H17N5O2/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/h2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24)/t12-,13+/m0/s1
InChIKeyDQQXAHVBAZGVGD-QWHCGFSZSA-N
MW335.37 g/mol
LogP2.62
Rot. Bonds5

About trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 95294636) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
PubChem CID95294636
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Nametrans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2ccccn2)n1
InChIInChI=1S/C18H17N5O2/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/h2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24)/t12-,13+/m0/s1
InChIKeyDQQXAHVBAZGVGD-QWHCGFSZSA-N
XLogP2.62
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
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
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99801001
cis-(1R,2S)-2-(2-methoxyphenyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 99800995
4-ethoxy-3-methoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992058
trans-(1R,2R)-N-(1H-benzimidazol-4-yl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 99564709
4-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 86992065
3-bromo-5-methoxy-4-propoxy-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)benzamide
CID 55729923
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 95178723

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide (CID 95294636) is trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1n[nH]c(-c2ccccn2)n1.
What is the InChIKey of trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is DQQXAHVBAZGVGD-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H17N5O2/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/h2-9,12-13H,10H2,1H3,(H2,20,21,22,23,24)/t12-,13+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95294636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).