N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide

C26H28N4O4 — CID 3204818

IUPACN'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C26H28N4O4/c1-34-22-12-10-21(11-13-22)18-30(19-25(32)28-17-20-7-3-2-4-8-20)26(33)15-14-24(31)29-23-9-5-6-16-27-23/h2-13,16H,14-15,17-19H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyXTHYMWFUEPNYFK-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.15
Rot. Bonds11

About N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide

N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204818) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204818
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
SMILESCOc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1
InChIInChI=1S/C26H28N4O4/c1-34-22-12-10-21(11-13-22)18-30(19-25(32)28-17-20-7-3-2-4-8-20)26(33)15-14-24(31)29-23-9-5-6-16-27-23/h2-13,16H,14-15,17-19H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyXTHYMWFUEPNYFK-UHFFFAOYSA-N
XLogP3.15
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204846
N'-(2-methoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 648577
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204817
N'-(2-fluorophenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3204880
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
CID 655501
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-fluorophenyl)methyl]-N-(4-methyl-2-pyridinyl)butanediamide
CID 3208424
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N'-(2,4-dimethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3846179
N'-(2-ethoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205332
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
CID 3204830
N'-[(1S)-2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
CID 40901562

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide (CID 3204818) is N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide is COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCC(=O)Nc2ccccn2)cc1.
What is the InChIKey of N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is XTHYMWFUEPNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-34-22-12-10-21(11-13-22)18-30(19-25(32)28-17-20-7-3-2-4-8-20)26(33)15-14-24(31)29-23-9-5-6-16-27-23/h2-13,16H,14-15,17-19H2,1H3,(H,28,32)(H,27,29,31).
What are the key properties of N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide?
N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 460.53 g/mol, XLogP of 3.15, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzylamino)-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).