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

C15H24N2O2 — CID 137457664

IUPAC1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@@H]1CCC[C@@H](n2cccc(NC(C)C)c2=O)C1
InChIInChI=1S/C15H24N2O2/c1-11(2)16-14-8-5-9-17(15(14)18)12-6-4-7-13(10-12)19-3/h5,8-9,11-13,16H,4,6-7,10H2,1-3H3/t12-,13-/m1/s1
InChIKeyYRAJDHUVQZNUES-CHWSQXEVSA-N
MW264.37 g/mol
LogP2.80
Rot. Bonds4

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

1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one (PubChem CID 137457664) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one.

Molecular Properties

Compound Name1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
PubChem CID137457664
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
SMILESCO[C@@H]1CCC[C@@H](n2cccc(NC(C)C)c2=O)C1
InChIInChI=1S/C15H24N2O2/c1-11(2)16-14-8-5-9-17(15(14)18)12-6-4-7-13(10-12)19-3/h5,8-9,11-13,16H,4,6-7,10H2,1-3H3/t12-,13-/m1/s1
InChIKeyYRAJDHUVQZNUES-CHWSQXEVSA-N
XLogP2.80
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
The IUPAC name of 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one (CID 137457664) is 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one.
What is the SMILES notation for 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
The canonical SMILES for 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one is CO[C@@H]1CCC[C@@H](n2cccc(NC(C)C)c2=O)C1.
What is the InChIKey of 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
The InChIKey is YRAJDHUVQZNUES-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)16-14-8-5-9-17(15(14)18)12-6-4-7-13(10-12)19-3/h5,8-9,11-13,16H,4,6-7,10H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one?
1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-methoxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one is sourced from PubChem (CID 137457664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).