1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C22H37N3O3 — CID 46902852

IUPAC1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C
InChIInChI=1S/C22H37N3O3/c1-5-6-12-25-16(2)19(22(28)24(3)4)13-18(21(25)27)14-20(26)23-15-17-10-8-7-9-11-17/h17-18H,5-15H2,1-4H3,(H,23,26)
InChIKeyAHHHCJMSROGPCN-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.08
Rot. Bonds8

About 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46902852) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46902852
Molecular FormulaC22H37N3O3
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Name1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C
InChIInChI=1S/C22H37N3O3/c1-5-6-12-25-16(2)19(22(28)24(3)4)13-18(21(25)27)14-20(26)23-15-17-10-8-7-9-11-17/h17-18H,5-15H2,1-4H3,(H,23,26)
InChIKeyAHHHCJMSROGPCN-UHFFFAOYSA-N
XLogP3.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46902852) is 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CCCCN1C(=O)C(CC(=O)NCC2CCCCC2)CC(C(=O)N(C)C)=C1C.
What is the InChIKey of 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is AHHHCJMSROGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-5-6-12-25-16(2)19(22(28)24(3)4)13-18(21(25)27)14-20(26)23-15-17-10-8-7-9-11-17/h17-18H,5-15H2,1-4H3,(H,23,26).
What are the key properties of 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(cyclohexylmethylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46902852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).