1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one

C12H18N2O2 — CID 137449098

IUPAC1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9/h2-3,8-10,13,15H,4-7H2,1H3
InChIKeySVLLRBUQSLGBMV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one

1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one (PubChem CID 137449098) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
PubChem CID137449098
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
SMILESCNc1cccn(C2CCC(O)CC2)c1=O
InChIInChI=1S/C12H18N2O2/c1-13-11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9/h2-3,8-10,13,15H,4-7H2,1H3
InChIKeySVLLRBUQSLGBMV-UHFFFAOYSA-N
XLogP1.37
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545
1-[(2R)-2-fluorocyclopropyl]-3-(methylamino)pyridin-2-one
CID 167308629
1-[(1R,3S)-3-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373382
1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449049
1-[(1R,2R)-2-methoxycyclopropyl]-3-(methylamino)pyridin-2-one
CID 137449559
1-[(1S,2R)-2-hydroxycyclopentyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373552
1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457478
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one
CID 137450302
1-cyclopropyl-2-methylpyrrole
CID 22288599
N-[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]acetamide
CID 137450630

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one (CID 137449098) is 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one is CNc1cccn(C2CCC(O)CC2)c1=O.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one?
The InChIKey is SVLLRBUQSLGBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-11-3-2-8-14(12(11)16)9-4-6-10(15)7-5-9/h2-3,8-10,13,15H,4-7H2,1H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one?
1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one has a molecular weight of 222.29 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one is sourced from PubChem (CID 137449098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).