1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

C25H43N3O3 — CID 46904155

IUPAC1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C25H43N3O3/c1-7-8-14-27-19(6)22(25(31)28(17(2)3)18(4)5)15-20(24(27)30)16-23(29)26-21-12-10-9-11-13-21/h17-18,20-21H,7-16H2,1-6H3,(H,26,29)
InChIKeyAJJPELDDSBXMMP-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.39
Rot. Bonds9

About 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904155) has the molecular formula C25H43N3O3 and a molecular weight of 433.64 g/mol. Its IUPAC name is 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
PubChem CID46904155
Molecular FormulaC25H43N3O3
Molecular Weight433.64 g/mol
Exact Mass433.33
IUPAC Name1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C25H43N3O3/c1-7-8-14-27-19(6)22(25(31)28(17(2)3)18(4)5)15-20(24(27)30)16-23(29)26-21-12-10-9-11-13-21/h17-18,20-21H,7-16H2,1-6H3,(H,26,29)
InChIKeyAJJPELDDSBXMMP-UHFFFAOYSA-N
XLogP4.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.39
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-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (CID 46904155) is 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is CCCCN1C(=O)C(CC(=O)NC2CCCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C.
What is the InChIKey of 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The InChIKey is AJJPELDDSBXMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3O3/c1-7-8-14-27-19(6)22(25(31)28(17(2)3)18(4)5)15-20(24(27)30)16-23(29)26-21-12-10-9-11-13-21/h17-18,20-21H,7-16H2,1-6H3,(H,26,29).
What are the key properties of 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 433.64 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).