cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide

C14H20N2O3 — CID 95976051

IUPACcis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCO[C@H]1C[C@H]1C(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H20N2O3/c1-4-19-12-6-10(12)13(17)15-7-11-8(2)5-9(3)16-14(11)18/h5,10,12H,4,6-7H2,1-3H3,(H,15,17)(H,16,18)/t10-,12+/m1/s1
InChIKeyJSWHWRJZPMBZBB-PWSUYJOCSA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds5

About cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide

cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide (PubChem CID 95976051) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
PubChem CID95976051
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namecis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide
SMILESCCO[C@H]1C[C@H]1C(=O)NCc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C14H20N2O3/c1-4-19-12-6-10(12)13(17)15-7-11-8(2)5-9(3)16-14(11)18/h5,10,12H,4,6-7H2,1-3H3,(H,15,17)(H,16,18)/t10-,12+/m1/s1
InChIKeyJSWHWRJZPMBZBB-PWSUYJOCSA-N
XLogP1.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide (CID 95976051) is cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide is CCO[C@H]1C[C@H]1C(=O)NCc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
The InChIKey is JSWHWRJZPMBZBB-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-12-6-10(12)13(17)15-7-11-8(2)5-9(3)16-14(11)18/h5,10,12H,4,6-7H2,1-3H3,(H,15,17)(H,16,18)/t10-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide?
cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethoxycyclopropane-1-carboxamide is sourced from PubChem (CID 95976051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).