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

C25H44N4O4 — CID 46904160

IUPAC1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCCN2CCOCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C25H44N4O4/c1-7-8-10-28-20(6)22(25(32)29(18(2)3)19(4)5)16-21(24(28)31)17-23(30)26-9-11-27-12-14-33-15-13-27/h18-19,21H,7-17H2,1-6H3,(H,26,30)
InChIKeyXLORAMKLZNKSLO-UHFFFAOYSA-N
MW464.65 g/mol
LogP2.39
Rot. Bonds11

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

1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904160) has the molecular formula C25H44N4O4 and a molecular weight of 464.65 g/mol. Its IUPAC name is 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
PubChem CID46904160
Molecular FormulaC25H44N4O4
Molecular Weight464.65 g/mol
Exact Mass464.34
IUPAC Name1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCCCCN1C(=O)C(CC(=O)NCCN2CCOCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C
InChIInChI=1S/C25H44N4O4/c1-7-8-10-28-20(6)22(25(32)29(18(2)3)19(4)5)16-21(24(28)31)17-23(30)26-9-11-27-12-14-33-15-13-27/h18-19,21H,7-17H2,1-6H3,(H,26,30)
InChIKeyXLORAMKLZNKSLO-UHFFFAOYSA-N
XLogP2.39
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
CID 46903239
1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904917
2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 51359423
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
CID 46904007
N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 97263755
2-[methylsulfonyl(pentyl)amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113153386
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (CID 46904160) is 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is CCCCN1C(=O)C(CC(=O)NCCN2CCOCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C.
What is the InChIKey of 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The InChIKey is XLORAMKLZNKSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N4O4/c1-7-8-10-28-20(6)22(25(32)29(18(2)3)19(4)5)16-21(24(28)31)17-23(30)26-9-11-27-12-14-33-15-13-27/h18-19,21H,7-17H2,1-6H3,(H,26,30).
What are the key properties of 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 464.65 g/mol, XLogP of 2.39, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).