cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide

C13H18N2O — CID 124609562

IUPACcis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC[C@@]1(C)C[C@@H]1C(=O)N(C)c1cccnc1
InChIInChI=1S/C13H18N2O/c1-4-13(2)8-11(13)12(16)15(3)10-6-5-7-14-9-10/h5-7,9,11H,4,8H2,1-3H3/t11-,13+/m1/s1
InChIKeyRRVCLLYKHWEEBO-YPMHNXCESA-N
MW218.30 g/mol
LogP2.48
Rot. Bonds3

About cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 124609562) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID124609562
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Namecis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCC[C@@]1(C)C[C@@H]1C(=O)N(C)c1cccnc1
InChIInChI=1S/C13H18N2O/c1-4-13(2)8-11(13)12(16)15(3)10-6-5-7-14-9-10/h5-7,9,11H,4,8H2,1-3H3/t11-,13+/m1/s1
InChIKeyRRVCLLYKHWEEBO-YPMHNXCESA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[methyl(pyridin-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511846
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
2,2-difluoro-N,3-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 126766987
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182
(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
5-[methyl(pyridin-3-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427235
(2S,5R)-5-(aminomethyl)-N-methyl-N-pyridin-3-yloxolane-2-carboxamide;dihydrochloride
CID 120800635
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
3-[methyl(pyridin-3-yl)carbamoyl]oxetane-3-carboxylic acid
CID 115184956
[2-[methyl(pyridin-3-yl)amino]-2-oxoethyl]carbamic acid
CID 174507293
3,3-dimethyl-4-[methyl(pyridin-3-yl)amino]-4-oxobutanoic acid
CID 115164800

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide (CID 124609562) is cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide is CC[C@@]1(C)C[C@@H]1C(=O)N(C)c1cccnc1.
What is the InChIKey of cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is RRVCLLYKHWEEBO-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-13(2)8-11(13)12(16)15(3)10-6-5-7-14-9-10/h5-7,9,11H,4,8H2,1-3H3/t11-,13+/m1/s1.
What are the key properties of cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide?
cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-ethyl-N,2-dimethyl-N-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 124609562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).