2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide

C21H31N3O2 — CID 69007813

IUPAC2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC1(C)CC=C(c2nc(C(C)(C)N3CCOCC3)ccc2C(N)=O)CC1
InChIInChI=1S/C21H31N3O2/c1-20(2)9-7-15(8-10-20)18-16(19(22)25)5-6-17(23-18)21(3,4)24-11-13-26-14-12-24/h5-7H,8-14H2,1-4H3,(H2,22,25)
InChIKeyUEISIVANZRSSNN-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.34
Rot. Bonds4

About 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide

2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 69007813) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID69007813
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC1(C)CC=C(c2nc(C(C)(C)N3CCOCC3)ccc2C(N)=O)CC1
InChIInChI=1S/C21H31N3O2/c1-20(2)9-7-15(8-10-20)18-16(19(22)25)5-6-17(23-18)21(3,4)24-11-13-26-14-12-24/h5-7H,8-14H2,1-4H3,(H2,22,25)
InChIKeyUEISIVANZRSSNN-UHFFFAOYSA-N
XLogP3.34
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide (CID 69007813) is 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide is CC1(C)CC=C(c2nc(C(C)(C)N3CCOCC3)ccc2C(N)=O)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is UEISIVANZRSSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-20(2)9-7-15(8-10-20)18-16(19(22)25)5-6-17(23-18)21(3,4)24-11-13-26-14-12-24/h5-7H,8-14H2,1-4H3,(H2,22,25).
What are the key properties of 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide?
2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexen-1-yl)-6-(2-morpholin-4-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 69007813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).