1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde

C13H18N2O3 — CID 51568120

IUPAC1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde
SMILESCc1cc(NC[C@@H]2CCCO2)c(C=O)c(=O)n1C
InChIInChI=1S/C13H18N2O3/c1-9-6-12(11(8-16)13(17)15(9)2)14-7-10-4-3-5-18-10/h6,8,10,14H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyXUAXWAVMALDJEY-JTQLQIEISA-N
MW250.30 g/mol
LogP1.10
Rot. Bonds4

About 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde

1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde (PubChem CID 51568120) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde
PubChem CID51568120
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde
SMILESCc1cc(NC[C@@H]2CCCO2)c(C=O)c(=O)n1C
InChIInChI=1S/C13H18N2O3/c1-9-6-12(11(8-16)13(17)15(9)2)14-7-10-4-3-5-18-10/h6,8,10,14H,3-5,7H2,1-2H3/t10-/m0/s1
InChIKeyXUAXWAVMALDJEY-JTQLQIEISA-N
XLogP1.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-2,4-dione
CID 121205371
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 100792161
2-methyl-N-(oxolan-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 82834994
5-bromo-3-methyl-1-[2-(oxolan-2-ylmethylamino)ethyl]pyridin-2-one
CID 83134085
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
2,5-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 43403445
2,3,4,5-tetramethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 51681797
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
2-N-(oxolan-2-ylmethyl)benzene-1,2-diamine
CID 43115525
3-(oxolan-2-ylmethylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione
CID 20921711
1-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95974856

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde?
The IUPAC name of 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde (CID 51568120) is 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde.
What is the SMILES notation for 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde?
The canonical SMILES for 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde is Cc1cc(NC[C@@H]2CCCO2)c(C=O)c(=O)n1C.
What is the InChIKey of 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde?
The InChIKey is XUAXWAVMALDJEY-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-6-12(11(8-16)13(17)15(9)2)14-7-10-4-3-5-18-10/h6,8,10,14H,3-5,7H2,1-2H3/t10-/m0/s1.
What are the key properties of 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde?
1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-2-oxo-4-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carbaldehyde is sourced from PubChem (CID 51568120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).