3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide

C13H18N2O2 — CID 169269388

IUPAC3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
SMILESCCc1cccnc1C(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C13H18N2O2/c1-2-11-4-3-6-14-12(11)13(16)15-8-10-5-7-17-9-10/h3-4,6,10H,2,5,7-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyQDVAEPAUAVSTPP-JTQLQIEISA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds4

About 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide

3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 169269388) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
PubChem CID169269388
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
SMILESCCc1cccnc1C(=O)NC[C@@H]1CCOC1
InChIInChI=1S/C13H18N2O2/c1-2-11-4-3-6-14-12(11)13(16)15-8-10-5-7-17-9-10/h3-4,6,10H,2,5,7-9H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyQDVAEPAUAVSTPP-JTQLQIEISA-N
XLogP1.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
N-[(3-ethyl-2-pyridinyl)methyl]-1-(oxolan-3-yl)methanamine
CID 82733178
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934
3-(oxolan-3-ylmethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743585
1-(2-methoxy-3-pyridinyl)-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 94178810
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
CID 170671139
4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene
CID 118536979
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide (CID 169269388) is 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide is CCc1cccnc1C(=O)NC[C@@H]1CCOC1.
What is the InChIKey of 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is QDVAEPAUAVSTPP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-11-4-3-6-14-12(11)13(16)15-8-10-5-7-17-9-10/h3-4,6,10H,2,5,7-9H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide?
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 169269388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).