trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

C19H19N5O2 — CID 124731840

IUPACtrans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[C@H]1c1ncn[nH]1
InChIInChI=1S/C19H19N5O2/c25-19(16-10-15(16)18-21-12-22-24-18)23-14-6-7-17(20-11-14)26-9-8-13-4-2-1-3-5-13/h1-7,11-12,15-16H,8-10H2,(H,23,25)(H,21,22,24)/t15-,16-/m1/s1
InChIKeyJEPNCPPFLOXYGM-HZPDHXFCSA-N
MW349.39 g/mol
LogP2.56
Rot. Bonds7

About trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 124731840) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
PubChem CID124731840
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Nametrans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[C@H]1c1ncn[nH]1
InChIInChI=1S/C19H19N5O2/c25-19(16-10-15(16)18-21-12-22-24-18)23-14-6-7-17(20-11-14)26-9-8-13-4-2-1-3-5-13/h1-7,11-12,15-16H,8-10H2,(H,23,25)(H,21,22,24)/t15-,16-/m1/s1
InChIKeyJEPNCPPFLOXYGM-HZPDHXFCSA-N
XLogP2.56
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide (CID 124731840) is trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is O=C(Nc1ccc(OCCc2ccccc2)nc1)[C@@H]1C[C@H]1c1ncn[nH]1.
What is the InChIKey of trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is JEPNCPPFLOXYGM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-19(16-10-15(16)18-21-12-22-24-18)23-14-6-7-17(20-11-14)26-9-8-13-4-2-1-3-5-13/h1-7,11-12,15-16H,8-10H2,(H,23,25)(H,21,22,24)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[6-(2-phenylethoxy)-3-pyridinyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 124731840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).