N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide

C26H28N4O4 — CID 3204857

IUPACN'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2cccc(C)c2)cc1
InChIInChI=1S/C26H28N4O4/c1-19-6-5-7-21(16-19)30(18-25(32)28-17-20-9-11-22(34-2)12-10-20)26(33)14-13-24(31)29-23-8-3-4-15-27-23/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,28,32)(H,27,29,31)
InChIKeyAPAHYPJSJPKUNW-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.47
Rot. Bonds10

About N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide

N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide (PubChem CID 3204857) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
PubChem CID3204857
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide
SMILESCOc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2cccc(C)c2)cc1
InChIInChI=1S/C26H28N4O4/c1-19-6-5-7-21(16-19)30(18-25(32)28-17-20-9-11-22(34-2)12-10-20)26(33)14-13-24(31)29-23-8-3-4-15-27-23/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,28,32)(H,27,29,31)
InChIKeyAPAHYPJSJPKUNW-UHFFFAOYSA-N
XLogP3.47
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CID 9893095
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
2-[(2-Methylaminoethyl)(P-Methoxybenzyl)Amino]Pyridine
CID 153224
3-{3-Benzyl-3H-imidazo[4,5-B]pyridin-2-YL}-N-[(4-methoxyphenyl)methyl]propanamide
CID 16009052
1-[4-Amino-2,6-bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea hydrochloride
CID 45265746
2-[(4-methoxybenzoyl)amino]-N-(2-pyridinyl)benzamide
CID 759561
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-pyridin-3-ylpropanamide
CID 866891
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
(E)-3-(4-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 24241463
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785
6-(4-methoxybenzylamino)-N-(2-aminophenyl)nicotinamide
CID 9968179

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide (CID 3204857) is N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide is COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2cccc(C)c2)cc1.
What is the InChIKey of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
The InChIKey is APAHYPJSJPKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-19-6-5-7-21(16-19)30(18-25(32)28-17-20-9-11-22(34-2)12-10-20)26(33)14-13-24(31)29-23-8-3-4-15-27-23/h3-12,15-16H,13-14,17-18H2,1-2H3,(H,28,32)(H,27,29,31).
What are the key properties of N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide?
N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide has a molecular weight of 460.53 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N'-(3-methylphenyl)-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).