5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide

C29H46N4O4 — CID 168957386

IUPAC5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCC.CC.COCC1(NC(=O)c2ccc(C)c(C)n2)CC1.Cc1ccc(C(=O)NC2CCOC2)nc1C
InChIInChI=1S/C13H18N2O2.C12H16N2O2.2C2H6/c1-9-4-5-11(14-10(9)2)12(16)15-13(6-7-13)8-17-3;1-8-3-4-11(13-9(8)2)12(15)14-10-5-6-16-7-10;2*1-2/h4-5H,6-8H2,1-3H3,(H,15,16);3-4,10H,5-7H2,1-2H3,(H,14,15);2*1-2H3
InChIKeyWMIQCAXVYUDNCS-UHFFFAOYSA-N
MW514.71 g/mol
LogP4.88
Rot. Bonds6

About 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide

5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (PubChem CID 168957386) has the molecular formula C29H46N4O4 and a molecular weight of 514.71 g/mol. Its IUPAC name is 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
PubChem CID168957386
Molecular FormulaC29H46N4O4
Molecular Weight514.71 g/mol
Exact Mass514.35
IUPAC Name5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide
SMILESCC.CC.COCC1(NC(=O)c2ccc(C)c(C)n2)CC1.Cc1ccc(C(=O)NC2CCOC2)nc1C
InChIInChI=1S/C13H18N2O2.C12H16N2O2.2C2H6/c1-9-4-5-11(14-10(9)2)12(16)15-13(6-7-13)8-17-3;1-8-3-4-11(13-9(8)2)12(15)14-10-5-6-16-7-10;2*1-2/h4-5H,6-8H2,1-3H3,(H,15,16);3-4,10H,5-7H2,1-2H3,(H,14,15);2*1-2H3
InChIKeyWMIQCAXVYUDNCS-UHFFFAOYSA-N
XLogP4.88
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.71
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 168678063
6-(methylamino)-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 80715956
N-(4-cyanocyclohexyl)-5,6-dimethylpyridine-2-carboxamide;ethane
CID 168957463
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
6-chloro-4-methyl-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide
CID 121374799
5-(4-fluorophenyl)-N-[4-(methoxymethyl)oxan-4-yl]-1-methylpyrazole-3-carboxamide
CID 136565302
6-fluoro-N-[(3R)-oxolan-3-yl]-5-piperazin-1-ylpyridine-2-carboxamide
CID 171559656
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 80713032
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 80713116

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The IUPAC name of 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide (CID 168957386) is 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is CC.CC.COCC1(NC(=O)c2ccc(C)c(C)n2)CC1.Cc1ccc(C(=O)NC2CCOC2)nc1C.
What is the InChIKey of 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
The InChIKey is WMIQCAXVYUDNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.C12H16N2O2.2C2H6/c1-9-4-5-11(14-10(9)2)12(16)15-13(6-7-13)8-17-3;1-8-3-4-11(13-9(8)2)12(15)14-10-5-6-16-7-10;2*1-2/h4-5H,6-8H2,1-3H3,(H,15,16);3-4,10H,5-7H2,1-2H3,(H,14,15);2*1-2H3.
What are the key properties of 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide?
5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide has a molecular weight of 514.71 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(oxolan-3-yl)pyridine-2-carboxamide;ethane;N-[1-(methoxymethyl)cyclopropyl]-5,6-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 168957386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).