3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one

C15H22ClN3O2 — CID 137450302

IUPAC3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one
SMILESO=c1c(NCl)cccn1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-17-14-2-1-7-19(15(14)20)13-5-3-12(4-6-13)18-8-10-21-11-9-18/h1-2,7,12-13,17H,3-6,8-11H2
InChIKeyBITWBLFWRGWHQJ-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.23
Rot. Bonds3

About 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one

3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one (PubChem CID 137450302) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one
PubChem CID137450302
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one
SMILESO=c1c(NCl)cccn1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C15H22ClN3O2/c16-17-14-2-1-7-19(15(14)20)13-5-3-12(4-6-13)18-8-10-21-11-9-18/h1-2,7,12-13,17H,3-6,8-11H2
InChIKeyBITWBLFWRGWHQJ-UHFFFAOYSA-N
XLogP2.23
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-morpholin-4-ylcyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137457478
1-(4-hydroxycyclohexyl)-3-(methylamino)pyridin-2-one
CID 137449098
3-(methylamino)-1-[(3S)-oxan-3-yl]pyridin-2-one
CID 139373545
1-(oxan-3-yl)-3-(propan-2-ylamino)pyridin-2-one
CID 139383698
3-amino-1-cyclopropylpyridin-2-one
CID 82466689
1-(4-methoxycyclohexyl)-3-(propan-2-ylamino)pyridin-2-one
CID 137449049
4-cyclopropylmorpholine;ethane
CID 155594914
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
1-methyl-3-[(5-morpholin-4-yl-2-pyridinyl)amino]pyridin-2-one
CID 68767381
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine;hydrochloride
CID 141183632
3-(chloromethyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 129494172
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489

Frequently Asked Questions

What is the IUPAC name of 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one?
The IUPAC name of 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one (CID 137450302) is 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one.
What is the SMILES notation for 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one?
The canonical SMILES for 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one is O=c1c(NCl)cccn1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one?
The InChIKey is BITWBLFWRGWHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-17-14-2-1-7-19(15(14)20)13-5-3-12(4-6-13)18-8-10-21-11-9-18/h1-2,7,12-13,17H,3-6,8-11H2.
What are the key properties of 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one?
3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one has a molecular weight of 311.81 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloroamino)-1-(4-morpholin-4-ylcyclohexyl)pyridin-2-one is sourced from PubChem (CID 137450302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).