N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide

C31H31N3O4 — CID 11856782

IUPACN-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3N)cc(-c3ccccc3)n2)cc1OCC
InChIInChI=1S/C31H31N3O4/c1-3-37-28-16-14-22(19-29(28)38-4-2)27(35)15-17-31(36)34-30-20-23(24-12-8-9-13-25(24)32)18-26(33-30)21-10-6-5-7-11-21/h5-14,16,18-20H,3-4,15,17,32H2,1-2H3,(H,33,34,36)
InChIKeyJFBAHSGGSJRSPW-UHFFFAOYSA-N
MW509.61 g/mol
LogP6.40
Rot. Bonds11

About N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide

N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide (PubChem CID 11856782) has the molecular formula C31H31N3O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide
PubChem CID11856782
Molecular FormulaC31H31N3O4
Molecular Weight509.61 g/mol
Exact Mass509.23
IUPAC NameN-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3N)cc(-c3ccccc3)n2)cc1OCC
InChIInChI=1S/C31H31N3O4/c1-3-37-28-16-14-22(19-29(28)38-4-2)27(35)15-17-31(36)34-30-20-23(24-12-8-9-13-25(24)32)18-26(33-30)21-10-6-5-7-11-21/h5-14,16,18-20H,3-4,15,17,32H2,1-2H3,(H,33,34,36)
InChIKeyJFBAHSGGSJRSPW-UHFFFAOYSA-N
XLogP6.40
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide with MolForge

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Related Compounds

(E)-3-[4-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutanoyl]amino]-6-phenyl-4-pyridinyl]phenyl]prop-2-enoic acid
CID 68980765
4-(3,4-dimethoxyphenyl)-N-[4-(4-hydroxyphenyl)-6-phenyl-2-pyridinyl]-4-oxobutanamide
CID 135407960
2-[3-[2-[[4-(3,4-diethoxyphenyl)-4-oxobutyl]amino]-6-phenyl-4-pyridinyl]phenyl]acetonitrile
CID 143272127
3-ethoxy-4-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 20986005
methyl 3-[2-[[4-(2,3-dihydro-1-benzofuran-5-yl)-4-oxobutanoyl]amino]-6-phenyl-4-pyridinyl]benzoate
CID 68980144
4-(3-ethoxyphenyl)-4-oxobutanal;N-methyl-4,6-diphenylpyridin-2-amine
CID 143272039
4-(3,4-diethoxyphenyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-oxobutanamide
CID 154872547
N-(2-benzyl-3-phenyl-2,3-dihydrothiophen-5-yl)-4-(3,4-diethoxyphenyl)-4-oxobutanamide
CID 143272031
4-(4,5-diethoxy-2-methylphenyl)-4-oxo-N-phenylbutanamide
CID 46210565
N-(5-benzyl-4-phenyl-1,3-thiazol-2-yl)-4-(3-bromo-4-ethoxyphenyl)-4-oxobutanamide
CID 11856778
4-(3,4-diethoxycyclohexyl)-N-(4,6-diphenyl-2-pyridinyl)-4-oxobutanamide
CID 143272038
N-[2-(butanoylamino)phenyl]-3,4-diethoxybenzamide
CID 1307408

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide (CID 11856782) is N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2cc(-c3ccccc3N)cc(-c3ccccc3)n2)cc1OCC.
What is the InChIKey of N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide?
The InChIKey is JFBAHSGGSJRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O4/c1-3-37-28-16-14-22(19-29(28)38-4-2)27(35)15-17-31(36)34-30-20-23(24-12-8-9-13-25(24)32)18-26(33-30)21-10-6-5-7-11-21/h5-14,16,18-20H,3-4,15,17,32H2,1-2H3,(H,33,34,36).
What are the key properties of N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide?
N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide has a molecular weight of 509.61 g/mol, XLogP of 6.40, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminophenyl)-6-phenyl-2-pyridinyl]-4-(3,4-diethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 11856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).