ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C17H36N2O — CID 145380354

IUPACethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC.CC.CC1=CCN(C(=O)N(C(C)C)C(C)C)CC1
InChIInChI=1S/C13H24N2O.2C2H6/c1-10(2)15(11(3)4)13(16)14-8-6-12(5)7-9-14;2*1-2/h6,10-11H,7-9H2,1-5H3;2*1-2H3
InChIKeySSFWQAYMAUUUEO-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.93
Rot. Bonds2

About ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 145380354) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID145380354
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Nameethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC.CC.CC1=CCN(C(=O)N(C(C)C)C(C)C)CC1
InChIInChI=1S/C13H24N2O.2C2H6/c1-10(2)15(11(3)4)13(16)14-8-6-12(5)7-9-14;2*1-2/h6,10-11H,7-9H2,1-5H3;2*1-2H3
InChIKeySSFWQAYMAUUUEO-UHFFFAOYSA-N
XLogP4.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-but-2-en-2-yl]-1,3-diethylimidazolidin-2-one
CID 102351243
N,N-diethyl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115770409
N,N,4,5-tetramethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 18728229
4,6-dimethyl-1,3-dipropyl-4H-pyrimidin-2-one
CID 21953743
1-[[Butyl(methyl)amino]methyl]-1-ethyl-3-methyl-3-(4-methylpent-3-enyl)urea
CID 54094704
1-[(Dibutylamino)methyl]-1-[3-(dibutylamino)propyl]-3-methyl-3-(4-methylpent-3-enyl)urea
CID 54206129
N,N,5-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 106313530
N-tert-butyl-4-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115766427
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-pyrrolidin-1-ylmethanone
CID 115766530
N,N,4-trimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115766538
(3,3-dimethylazetidin-1-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 121451647
N-methyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131112297

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 145380354) is ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC.CC.CC1=CCN(C(=O)N(C(C)C)C(C)C)CC1.
What is the InChIKey of ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is SSFWQAYMAUUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.2C2H6/c1-10(2)15(11(3)4)13(16)14-8-6-12(5)7-9-14;2*1-2/h6,10-11H,7-9H2,1-5H3;2*1-2H3.
What are the key properties of ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 284.49 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N,N-di(propan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 145380354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).