1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one

C14H22N2O2 — CID 137449050

IUPAC1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@H]1CCC[C@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)15-11-6-5-9-16(14(11)17)12-7-4-8-13(12)18-3/h5-6,9-10,12-13,15H,4,7-8H2,1-3H3/t12-,13+/m1/s1
InChIKeyOPPUCCWUBMBUHV-OLZOCXBDSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds4

About 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one

1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137449050) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137449050
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@H]1CCC[C@H]1n1cccc(NC(C)C)c1=O
InChIInChI=1S/C14H22N2O2/c1-10(2)15-11-6-5-9-16(14(11)17)12-7-4-8-13(12)18-3/h5-6,9-10,12-13,15H,4,7-8H2,1-3H3/t12-,13+/m1/s1
InChIKeyOPPUCCWUBMBUHV-OLZOCXBDSA-N
XLogP2.41
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one (CID 137449050) is 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one is CO[C@H]1CCC[C@H]1n1cccc(NC(C)C)c1=O.
What is the InChIKey of 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is OPPUCCWUBMBUHV-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)15-11-6-5-9-16(14(11)17)12-7-4-8-13(12)18-3/h5-6,9-10,12-13,15H,4,7-8H2,1-3H3/t12-,13+/m1/s1.
What are the key properties of 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methoxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137449050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).