ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide

C12H20N2O2 — CID 145223857

IUPACethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide
SMILESCC.COc1cc(C(=O)N(C)C)cnc1C
InChIInChI=1S/C10H14N2O2.C2H6/c1-7-9(14-4)5-8(6-11-7)10(13)12(2)3;1-2/h5-6H,1-4H3;1-2H3
InChIKeyCSNYESXKPXEEGH-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.13
Rot. Bonds2

About ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide

ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide (PubChem CID 145223857) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide
PubChem CID145223857
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nameethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide
SMILESCC.COc1cc(C(=O)N(C)C)cnc1C
InChIInChI=1S/C10H14N2O2.C2H6/c1-7-9(14-4)5-8(6-11-7)10(13)12(2)3;1-2/h5-6H,1-4H3;1-2H3
InChIKeyCSNYESXKPXEEGH-UHFFFAOYSA-N
XLogP2.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,5,6-tetramethylpyridine-3-carboxamide
CID 178150926
6-amino-N,N,5-trimethylpyridine-3-carboxamide;ethane
CID 178150598
N-methoxy-N,5,6-trimethylpyridine-3-carboxamide
CID 130211578
3-methoxy-N,N-dimethyl-4-(2-methylphenyl)benzamide
CID 144693423
N,N,6,8-tetramethylquinoline-3-carboxamide
CID 10561334
ethane;5-ethyl-3-methoxy-2-methylpyridine
CID 143989915
4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 79770004
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-carboxamide
CID 62170738
6-[(2-methoxyphenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956159
5-methoxy-N-(2-methoxyethyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 176992350

Frequently Asked Questions

What is the IUPAC name of ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide?
The IUPAC name of ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide (CID 145223857) is ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide.
What is the SMILES notation for ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide?
The canonical SMILES for ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide is CC.COc1cc(C(=O)N(C)C)cnc1C.
What is the InChIKey of ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide?
The InChIKey is CSNYESXKPXEEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C2H6/c1-7-9(14-4)5-8(6-11-7)10(13)12(2)3;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide?
ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methoxy-N,N,6-trimethylpyridine-3-carboxamide is sourced from PubChem (CID 145223857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).