1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide

C28H42N4O4 — CID 46904917

IUPAC1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H42N4O4/c1-20-24(27(35)30(5)6)17-22(18-25(33)29-11-12-31-13-15-36-16-14-31)26(34)32(20)19-21-7-9-23(10-8-21)28(2,3)4/h7-10,22H,11-19H2,1-6H3,(H,29,33)
InChIKeyGPCKNZKTCJFYAE-UHFFFAOYSA-N
MW498.67 g/mol
LogP2.53
Rot. Bonds8

About 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide

1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904917) has the molecular formula C28H42N4O4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904917
Molecular FormulaC28H42N4O4
Molecular Weight498.67 g/mol
Exact Mass498.32
IUPAC Name1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C)C)CC(CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C28H42N4O4/c1-20-24(27(35)30(5)6)17-22(18-25(33)29-11-12-31-13-15-36-16-14-31)26(34)32(20)19-21-7-9-23(10-8-21)28(2,3)4/h7-10,22H,11-19H2,1-6H3,(H,29,33)
InChIKeyGPCKNZKTCJFYAE-UHFFFAOYSA-N
XLogP2.53
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide with MolForge

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Related Compounds

1-[(4-tert-butylphenyl)methyl]-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904916
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
3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904914
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
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
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 51359422
N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 97263755
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'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
3-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 75489147
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 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) is 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C)CC(CC(=O)NCCN2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is GPCKNZKTCJFYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O4/c1-20-24(27(35)30(5)6)17-22(18-25(33)29-11-12-31-13-15-36-16-14-31)26(34)32(20)19-21-7-9-23(10-8-21)28(2,3)4/h7-10,22H,11-19H2,1-6H3,(H,29,33).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide?
1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 498.67 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).