methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

C20H30N2O4 — CID 67520456

IUPACmethyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC2(C(=O)OC)CCCCC2)c1=O
InChIInChI=1S/C20H30N2O4/c1-5-6-12-22-15(3)14(2)13-16(18(22)24)17(23)21-20(19(25)26-4)10-8-7-9-11-20/h13H,5-12H2,1-4H3,(H,21,23)
InChIKeyPYFHJXGZGPXWCD-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.87
Rot. Bonds6

About methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate

methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 67520456) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID67520456
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCCCCn1c(C)c(C)cc(C(=O)NC2(C(=O)OC)CCCCC2)c1=O
InChIInChI=1S/C20H30N2O4/c1-5-6-12-22-15(3)14(2)13-16(18(22)24)17(23)21-20(19(25)26-4)10-8-7-9-11-20/h13H,5-12H2,1-4H3,(H,21,23)
InChIKeyPYFHJXGZGPXWCD-UHFFFAOYSA-N
XLogP2.87
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate (CID 67520456) is methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is CCCCn1c(C)c(C)cc(C(=O)NC2(C(=O)OC)CCCCC2)c1=O.
What is the InChIKey of methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is PYFHJXGZGPXWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-5-6-12-22-15(3)14(2)13-16(18(22)24)17(23)21-20(19(25)26-4)10-8-7-9-11-20/h13H,5-12H2,1-4H3,(H,21,23).
What are the key properties of methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 67520456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).