1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one

C14H22N2O3 — CID 137457666

IUPAC1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@@H]1COCC[C@@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C14H22N2O3/c1-10(2)15-11-5-4-7-16(14(11)17)12-6-8-19-9-13(12)18-3/h4-5,7,10,12-13,15H,6,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyNZJWQRKKJFSTBW-QWHCGFSZSA-N
MW266.34 g/mol
LogP1.64
Rot. Bonds4

About 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one

1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457666) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457666
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@@H]1COCC[C@@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C14H22N2O3/c1-10(2)15-11-5-4-7-16(14(11)17)12-6-8-19-9-13(12)18-3/h4-5,7,10,12-13,15H,6,8-9H2,1-3H3/t12-,13+/m0/s1
InChIKeyNZJWQRKKJFSTBW-QWHCGFSZSA-N
XLogP1.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457666) is 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one is CO[C@@H]1COCC[C@@H]1n1cccc(NC(C)C)c1=O.
What is the InChIKey of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is NZJWQRKKJFSTBW-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)15-11-5-4-7-16(14(11)17)12-6-8-19-9-13(12)18-3/h4-5,7,10,12-13,15H,6,8-9H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-3-methoxyoxan-4-yl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).