trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide

C20H24N2O2 — CID 71201914

IUPACtrans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C20H24N2O2/c1-13(2)24-19-10-9-16(12-21-19)14(3)22-20(23)18-11-17(18)15-7-5-4-6-8-15/h4-10,12-14,17-18H,11H2,1-3H3,(H,22,23)/t14-,17+,18-/m0/s1
InChIKeyQVZJEMLCBHTCAH-QGTPRVQTSA-N
MW324.42 g/mol
LogP3.85
Rot. Bonds6

About trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 71201914) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
PubChem CID71201914
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nametrans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide
SMILESCC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C20H24N2O2/c1-13(2)24-19-10-9-16(12-21-19)14(3)22-20(23)18-11-17(18)15-7-5-4-6-8-15/h4-10,12-14,17-18H,11H2,1-3H3,(H,22,23)/t14-,17+,18-/m0/s1
InChIKeyQVZJEMLCBHTCAH-QGTPRVQTSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide (CID 71201914) is trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide is CC(C)Oc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cn1.
What is the InChIKey of trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is QVZJEMLCBHTCAH-QGTPRVQTSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13(2)24-19-10-9-16(12-21-19)14(3)22-20(23)18-11-17(18)15-7-5-4-6-8-15/h4-10,12-14,17-18H,11H2,1-3H3,(H,22,23)/t14-,17+,18-/m0/s1.
What are the key properties of trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide?
trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-phenyl-N-[(1S)-1-(6-propan-2-yloxy-3-pyridinyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 71201914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).