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

C24H44N4O3 — CID 53299426

IUPAC1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C24H44N4O3/c1-9-10-14-27-19(6)21(24(31)28(17(2)3)18(4)5)15-20(23(27)30)16-22(29)25-12-11-13-26(7)8/h17-18,20H,9-16H2,1-8H3,(H,25,29)
InChIKeyYAMIGKNZDIEGHQ-UHFFFAOYSA-N
MW436.64 g/mol
LogP3.01
Rot. Bonds12

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

1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 53299426) has the molecular formula C24H44N4O3 and a molecular weight of 436.64 g/mol. Its IUPAC name is 1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
PubChem CID53299426
Molecular FormulaC24H44N4O3
Molecular Weight436.64 g/mol
Exact Mass436.34
IUPAC Name1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C24H44N4O3/c1-9-10-14-27-19(6)21(24(31)28(17(2)3)18(4)5)15-20(23(27)30)16-22(29)25-12-11-13-26(7)8/h17-18,20H,9-16H2,1-8H3,(H,25,29)
InChIKeyYAMIGKNZDIEGHQ-UHFFFAOYSA-N
XLogP3.01
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.64
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[2-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (CID 53299426) is 1-butyl-3-[2-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is CCCCN1C(=O)C(CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C.
What is the InChIKey of 1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The InChIKey is YAMIGKNZDIEGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N4O3/c1-9-10-14-27-19(6)21(24(31)28(17(2)3)18(4)5)15-20(23(27)30)16-22(29)25-12-11-13-26(7)8/h17-18,20H,9-16H2,1-8H3,(H,25,29).
What are the key properties of 1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 436.64 g/mol, XLogP of 3.01, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 53299426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).