(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide

C12H16N2O2 — CID 154751085

IUPAC(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCn1cccc(NC(=O)[C@H]2CC2(C)C)c1=O
InChIInChI=1S/C12H16N2O2/c1-12(2)7-8(12)10(15)13-9-5-4-6-14(3)11(9)16/h4-6,8H,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyASBSDRGOWJWXPS-MRVPVSSYSA-N
MW220.27 g/mol
LogP1.37
Rot. Bonds2

About (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 154751085) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID154751085
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCn1cccc(NC(=O)[C@H]2CC2(C)C)c1=O
InChIInChI=1S/C12H16N2O2/c1-12(2)7-8(12)10(15)13-9-5-4-6-14(3)11(9)16/h4-6,8H,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyASBSDRGOWJWXPS-MRVPVSSYSA-N
XLogP1.37
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclohexane-1-carboxamide
CID 119782681
1-amino-N-(1-methyl-2-oxo-3-pyridinyl)cyclopentane-1-carboxamide
CID 119323050
2-amino-N-(1-methyl-2-oxo-3-pyridinyl)acetamide
CID 130637050
(2S,5R)-5-(aminomethyl)-N-(1-methyl-2-oxo-3-pyridinyl)oxolane-2-carboxamide
CID 120793010
N-(2-bromo-3-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841304
N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000562
1-[(2R)-3-methylbutan-2-yl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 97317767
3,5-dichloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86768884
2-(hydroxymethyl)-N-(1-methyl-2-oxo-3-pyridinyl)pyrrolidine-1-carboxamide
CID 154749331
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107800827

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide (CID 154751085) is (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide is Cn1cccc(NC(=O)[C@H]2CC2(C)C)c1=O.
What is the InChIKey of (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is ASBSDRGOWJWXPS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2)7-8(12)10(15)13-9-5-4-6-14(3)11(9)16/h4-6,8H,7H2,1-3H3,(H,13,15)/t8-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-(1-methyl-2-oxo-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154751085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).