cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane

C20H34N2O2 — CID 145466751

IUPACcis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane
SMILESCC.CC.CC(=O)C(NC(=O)[C@H]1C[C@H]1c1ccccn1)C(C)(C)C
InChIInChI=1S/C16H22N2O2.2C2H6/c1-10(19)14(16(2,3)4)18-15(20)12-9-11(12)13-7-5-6-8-17-13;2*1-2/h5-8,11-12,14H,9H2,1-4H3,(H,18,20);2*1-2H3/t11-,12+,14?;;/m1../s1
InChIKeyZZGDDIRUXXSCHR-PVGFMBNCSA-N
MW334.50 g/mol
LogP4.36
Rot. Bonds4

About cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane

cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane (PubChem CID 145466751) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound Namecis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane
PubChem CID145466751
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Namecis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane
SMILESCC.CC.CC(=O)C(NC(=O)[C@H]1C[C@H]1c1ccccn1)C(C)(C)C
InChIInChI=1S/C16H22N2O2.2C2H6/c1-10(19)14(16(2,3)4)18-15(20)12-9-11(12)13-7-5-6-8-17-13;2*1-2/h5-8,11-12,14H,9H2,1-4H3,(H,18,20);2*1-2H3/t11-,12+,14?;;/m1../s1
InChIKeyZZGDDIRUXXSCHR-PVGFMBNCSA-N
XLogP4.36
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane?
The IUPAC name of cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane (CID 145466751) is cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane.
What is the SMILES notation for cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane?
The canonical SMILES for cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane is CC.CC.CC(=O)C(NC(=O)[C@H]1C[C@H]1c1ccccn1)C(C)(C)C.
What is the InChIKey of cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane?
The InChIKey is ZZGDDIRUXXSCHR-PVGFMBNCSA-N. The full InChI is InChI=1S/C16H22N2O2.2C2H6/c1-10(19)14(16(2,3)4)18-15(20)12-9-11(12)13-7-5-6-8-17-13;2*1-2/h5-8,11-12,14H,9H2,1-4H3,(H,18,20);2*1-2H3/t11-,12+,14?;;/m1../s1.
What are the key properties of cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane?
cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane has a molecular weight of 334.50 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(2,2-dimethyl-4-oxopentan-3-yl)-2-pyridin-2-ylcyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 145466751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).