ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide

C14H22N2O2 — CID 169269117

IUPACethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
SMILESCC.Cc1cccnc1C(=O)NCC1CCOC1
InChIInChI=1S/C12H16N2O2.C2H6/c1-9-3-2-5-13-11(9)12(15)14-7-10-4-6-16-8-10;1-2/h2-3,5,10H,4,6-8H2,1H3,(H,14,15);1-2H3
InChIKeySNWWYOCWYZDMII-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.18
Rot. Bonds3

About ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide

ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 169269117) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Nameethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
PubChem CID169269117
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
SMILESCC.Cc1cccnc1C(=O)NCC1CCOC1
InChIInChI=1S/C12H16N2O2.C2H6/c1-9-3-2-5-13-11(9)12(15)14-7-10-4-6-16-8-10;1-2/h2-3,5,10H,4,6-8H2,1H3,(H,14,15);1-2H3
InChIKeySNWWYOCWYZDMII-UHFFFAOYSA-N
XLogP2.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]-3-methylpyridine-2-carboxamide
CID 91760856
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
2-hydroxy-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 61073826
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
CID 95189282
N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 82733178
N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104614955
2-bromo-3-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113338886

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide (CID 169269117) is ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide is CC.Cc1cccnc1C(=O)NCC1CCOC1.
What is the InChIKey of ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is SNWWYOCWYZDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.C2H6/c1-9-3-2-5-13-11(9)12(15)14-7-10-4-6-16-8-10;1-2/h2-3,5,10H,4,6-8H2,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 169269117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).