(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

C18H23N3O3 — CID 124621745

IUPAC(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)ccn1
InChIInChI=1S/C18H23N3O3/c1-13-12-14(6-7-19-13)20-17(22)15-4-2-3-5-16(15)18(23)21-8-10-24-11-9-21/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3,(H,19,20,22)/t15-,16+/m0/s1
InChIKeyYNRHMYNEMBLGAK-JKSUJKDBSA-N
MW329.40 g/mol
LogP1.77
Rot. Bonds3

About (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide

(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 124621745) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID124621745
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)ccn1
InChIInChI=1S/C18H23N3O3/c1-13-12-14(6-7-19-13)20-17(22)15-4-2-3-5-16(15)18(23)21-8-10-24-11-9-21/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3,(H,19,20,22)/t15-,16+/m0/s1
InChIKeyYNRHMYNEMBLGAK-JKSUJKDBSA-N
XLogP1.77
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133552
cis-(1R,2S)-N-(2-methyl-4-pyridinyl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 96526962
(1R,6S)-N-(3-hydroxy-2-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 129477988
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
4-amino-N-(2-methyl-4-pyridinyl)oxolane-3-carboxamide
CID 79241184
2-[(2-methyl-4-pyridinyl)amino]-1-morpholin-4-ylethanone
CID 133490707
N-ethyl-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133522
N-(3,4-dichlorophenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 19133659
2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
N-[4-fluoro-3-(1H-indole-3-carbonyl)phenyl]-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide
CID 167937054
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide (CID 124621745) is (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)ccn1.
What is the InChIKey of (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is YNRHMYNEMBLGAK-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-12-14(6-7-19-13)20-17(22)15-4-2-3-5-16(15)18(23)21-8-10-24-11-9-21/h2-3,6-7,12,15-16H,4-5,8-11H2,1H3,(H,19,20,22)/t15-,16+/m0/s1.
What are the key properties of (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide?
(1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-N-(2-methyl-4-pyridinyl)-6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 124621745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).