4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide

C23H35N3O3 — CID 86878551

IUPAC4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C23H35N3O3/c1-15-12-16(2)25-23(29)20(15)14-24-22(28)18-8-10-19(11-9-18)26-21(27)13-17-6-4-3-5-7-17/h12,17-19H,3-11,13-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyIQACAMMQTIIOCW-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.25
Rot. Bonds6

About 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 86878551) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID86878551
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(C)c(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c(=O)[nH]1
InChIInChI=1S/C23H35N3O3/c1-15-12-16(2)25-23(29)20(15)14-24-22(28)18-8-10-19(11-9-18)26-21(27)13-17-6-4-3-5-7-17/h12,17-19H,3-11,13-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyIQACAMMQTIIOCW-UHFFFAOYSA-N
XLogP3.25
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide (CID 86878551) is 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide is Cc1cc(C)c(CNC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)c(=O)[nH]1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is IQACAMMQTIIOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-15-12-16(2)25-23(29)20(15)14-24-22(28)18-8-10-19(11-9-18)26-21(27)13-17-6-4-3-5-7-17/h12,17-19H,3-11,13-14H2,1-2H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 86878551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).