4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene

C41H45N5O6 — CID 145175953

IUPAC4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene
SMILESCOc1ccc(N(C)C(=O)C(NC(=O)c2cccc(C(=O)NCC=O)n2)c2ccccc2)cc1.COc1ccc(N(C)C)cc1.Cc1ccccc1
InChIInChI=1S/C25H24N4O5.C9H13NO.C7H8/c1-29(18-11-13-19(34-2)14-12-18)25(33)22(17-7-4-3-5-8-17)28-24(32)21-10-6-9-20(27-21)23(31)26-15-16-30;1-10(2)8-4-6-9(11-3)7-5-8;1-7-5-3-2-4-6-7/h3-14,16,22H,15H2,1-2H3,(H,26,31)(H,28,32);4-7H,1-3H3;2-6H,1H3
InChIKeyJZISUIBZSCCJCS-UHFFFAOYSA-N
MW703.84 g/mol
LogP5.91
Rot. Bonds11

About 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene

4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene (PubChem CID 145175953) has the molecular formula C41H45N5O6 and a molecular weight of 703.84 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene
PubChem CID145175953
Molecular FormulaC41H45N5O6
Molecular Weight703.84 g/mol
Exact Mass703.34
IUPAC Name4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene
SMILESCOc1ccc(N(C)C(=O)C(NC(=O)c2cccc(C(=O)NCC=O)n2)c2ccccc2)cc1.COc1ccc(N(C)C)cc1.Cc1ccccc1
InChIInChI=1S/C25H24N4O5.C9H13NO.C7H8/c1-29(18-11-13-19(34-2)14-12-18)25(33)22(17-7-4-3-5-8-17)28-24(32)21-10-6-9-20(27-21)23(31)26-15-16-30;1-10(2)8-4-6-9(11-3)7-5-8;1-7-5-3-2-4-6-7/h3-14,16,22H,15H2,1-2H3,(H,26,31)(H,28,32);4-7H,1-3H3;2-6H,1H3
InChIKeyJZISUIBZSCCJCS-UHFFFAOYSA-N
XLogP5.91
TPSA130.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801
N-[(2-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 485056
4-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoline-2-carboxamide
CID 22184796
(6S)-6-[(4-benzoylpiperazin-1-yl)methyl]-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600462
(6S)-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]-6-[(4-phenylmethoxyphenyl)methyl]piperazin-2-one
CID 122600566
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(6-methoxyquinoline-2-carbonyl)piperazin-2-one
CID 122600799
(6S)-6-benzyl-1-[(3-methoxyphenyl)methyl]-4-(6-methoxyquinoline-2-carbonyl)piperazin-2-one
CID 122600842
N-(4-methoxyphenyl)-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 141507742
N-(4-methoxybenzyl)-2-quinolinecarboxamide
CID 800754

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene?
The IUPAC name of 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene (CID 145175953) is 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene.
What is the SMILES notation for 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene?
The canonical SMILES for 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene is COc1ccc(N(C)C(=O)C(NC(=O)c2cccc(C(=O)NCC=O)n2)c2ccccc2)cc1.COc1ccc(N(C)C)cc1.Cc1ccccc1.
What is the InChIKey of 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene?
The InChIKey is JZISUIBZSCCJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5.C9H13NO.C7H8/c1-29(18-11-13-19(34-2)14-12-18)25(33)22(17-7-4-3-5-8-17)28-24(32)21-10-6-9-20(27-21)23(31)26-15-16-30;1-10(2)8-4-6-9(11-3)7-5-8;1-7-5-3-2-4-6-7/h3-14,16,22H,15H2,1-2H3,(H,26,31)(H,28,32);4-7H,1-3H3;2-6H,1H3.
What are the key properties of 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene?
4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene has a molecular weight of 703.84 g/mol, XLogP of 5.91, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylaniline;6-N-[2-(4-methoxy-N-methylanilino)-2-oxo-1-phenylethyl]-2-N-(2-oxoethyl)pyridine-2,6-dicarboxamide;toluene is sourced from PubChem (CID 145175953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).