N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane

C12H22N2O — CID 91507600

IUPACN,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
SMILESCC.CCN(CC)C(=O)C1=NC=CCC1
InChIInChI=1S/C10H16N2O.C2H6/c1-3-12(4-2)10(13)9-7-5-6-8-11-9;1-2/h6,8H,3-5,7H2,1-2H3;1-2H3
InChIKeyGCVKEIZDXZLFDX-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.63
Rot. Bonds3

About N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane

N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane (PubChem CID 91507600) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
PubChem CID91507600
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane
SMILESCC.CCN(CC)C(=O)C1=NC=CCC1
InChIInChI=1S/C10H16N2O.C2H6/c1-3-12(4-2)10(13)9-7-5-6-8-11-9;1-2/h6,8H,3-5,7H2,1-2H3;1-2H3
InChIKeyGCVKEIZDXZLFDX-UHFFFAOYSA-N
XLogP2.63
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3,4-dihydropyridine-2-carboxamide
CID 58752925
1-[5-(Methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 123984374
N-(3-ethenyliminopent-4-enyl)-N-methylacetamide
CID 142095802
1-[2-(3H-pyrrol-2-yl)ethyl]piperidine-2,6-dione
CID 147162262
1-[(Z)-5-(methylideneamino)-3-methyliminopent-4-enyl]piperidine-2,6-dione
CID 154469851
1-Ethyl-3-(2-methylprop-2-enyl)pyrazin-2-one
CID 165139966
1-(3,4-dihydro-2H-pyridin-1-yl)pentan-1-one
CID 167048695
1-methyl-3-methylimino-4H-pyridin-2-one
CID 175728403

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane?
The IUPAC name of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane (CID 91507600) is N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane.
What is the SMILES notation for N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane?
The canonical SMILES for N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane is CC.CCN(CC)C(=O)C1=NC=CCC1.
What is the InChIKey of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane?
The InChIKey is GCVKEIZDXZLFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6/c1-3-12(4-2)10(13)9-7-5-6-8-11-9;1-2/h6,8H,3-5,7H2,1-2H3;1-2H3.
What are the key properties of N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane?
N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane has a molecular weight of 210.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dihydropyridine-2-carboxamide;ethane is sourced from PubChem (CID 91507600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).