cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C18H17N5O2 — CID 95383104

IUPACcis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C18H17N5O2/c1-25-16-5-3-2-4-13(16)14-8-15(14)18(24)22-12-6-7-17(20-9-12)23-11-19-10-21-23/h2-7,9-11,14-15H,8H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyBSMMPLCCDIFFLC-GJZGRUSLSA-N
MW335.37 g/mol
LogP2.41
Rot. Bonds5

About cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 95383104) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID95383104
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Namecis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C18H17N5O2/c1-25-16-5-3-2-4-13(16)14-8-15(14)18(24)22-12-6-7-17(20-9-12)23-11-19-10-21-23/h2-7,9-11,14-15H,8H2,1H3,(H,22,24)/t14-,15-/m0/s1
InChIKeyBSMMPLCCDIFFLC-GJZGRUSLSA-N
XLogP2.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 95383104) is cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is BSMMPLCCDIFFLC-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-25-16-5-3-2-4-13(16)14-8-15(14)18(24)22-12-6-7-17(20-9-12)23-11-19-10-21-23/h2-7,9-11,14-15H,8H2,1H3,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95383104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).