(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

C20H27N3O5 — CID 7219186

IUPAC(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C20H27N3O5/c1-12-10-14(15(20(25)26)11-13(12)2)19(24)21-16-4-5-17(27-3)22-18(16)23-6-8-28-9-7-23/h4-5,14-15H,6-11H2,1-3H3,(H,21,24)(H,25,26)/t14-,15-/m1/s1
InChIKeyDIVFCXSCSKRRAQ-HUUCEWRRSA-N
MW389.45 g/mol
LogP2.31
Rot. Bonds5

About (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (PubChem CID 7219186) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
PubChem CID7219186
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
SMILESCOc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(N2CCOCC2)n1
InChIInChI=1S/C20H27N3O5/c1-12-10-14(15(20(25)26)11-13(12)2)19(24)21-16-4-5-17(27-3)22-18(16)23-6-8-28-9-7-23/h4-5,14-15H,6-11H2,1-3H3,(H,21,24)(H,25,26)/t14-,15-/m1/s1
InChIKeyDIVFCXSCSKRRAQ-HUUCEWRRSA-N
XLogP2.31
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2826406
(1S,6S)-6-[(6-methoxy-2-morpholin-4-ylpyridin-1-ium-3-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7219187
(3R)-N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]oxolane-3-carboxamide
CID 95299587
6-[(2-methoxy-6-morpholin-4-yl-3,4-dihydropyridin-5-yl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 24870221
6-[(2,4-dimethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 17379150
N-(2,4-dimorpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 112761839
5-[(5-cyano-2-pyridinyl)methyl]-N-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-3-methyl-1,2-thiazole-4-carboxamide
CID 160909331
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
CID 128977896
6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide
CID 75420641
(7-methoxy-4-morpholin-4-yl-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamic acid
CID 154342872

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid (CID 7219186) is (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is COc1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(N2CCOCC2)n1.
What is the InChIKey of (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is DIVFCXSCSKRRAQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-12-10-14(15(20(25)26)11-13(12)2)19(24)21-16-4-5-17(27-3)22-18(16)23-6-8-28-9-7-23/h4-5,14-15H,6-11H2,1-3H3,(H,21,24)(H,25,26)/t14-,15-/m1/s1.
What are the key properties of (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid?
(1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[(6-methoxy-2-morpholin-4-yl-3-pyridinyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 7219186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).