N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide

C26H27ClN4O3 — CID 3204785

IUPACN'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccccc1Cl)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
InChIInChI=1S/C26H27ClN4O3/c27-22-11-5-4-10-21(22)18-31(19-25(33)29-17-15-20-8-2-1-3-9-20)26(34)14-13-24(32)30-23-12-6-7-16-28-23/h1-12,16H,13-15,17-19H2,(H,29,33)(H,28,30,32)
InChIKeyZSTGXRJHIKOZCU-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.84
Rot. Bonds11

About N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide

N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 3204785) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
PubChem CID3204785
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC NameN'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESO=C(CN(Cc1ccccc1Cl)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
InChIInChI=1S/C26H27ClN4O3/c27-22-11-5-4-10-21(22)18-31(19-25(33)29-17-15-20-8-2-1-3-9-20)26(34)14-13-24(32)30-23-12-6-7-16-28-23/h1-12,16H,13-15,17-19H2,(H,29,33)(H,28,30,32)
InChIKeyZSTGXRJHIKOZCU-UHFFFAOYSA-N
XLogP3.84
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide with MolForge

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Related Compounds

N'-[2-(benzylamino)-2-oxoethyl]-N'-[(2-chlorophenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204817
N'-(3,5-dimethylphenyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204774
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
N'-(2,3-dimethylphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208386
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-[(4-methoxyphenyl)methyl]-N-pyridin-2-ylbutanediamide
CID 3204846
N'-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208402
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N'-(4-ethoxyphenyl)-N-(4-methyl-2-pyridinyl)-N'-[2-oxo-2-(2-phenylethylamino)ethyl]butanediamide
CID 3208392
N'-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N'-(2-methoxyethyl)-N-pyridin-2-ylbutanediamide
CID 655501
N'-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204890
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113162558

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide (CID 3204785) is N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide is O=C(CN(Cc1ccccc1Cl)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is ZSTGXRJHIKOZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c27-22-11-5-4-10-21(22)18-31(19-25(33)29-17-15-20-8-2-1-3-9-20)26(34)14-13-24(32)30-23-12-6-7-16-28-23/h1-12,16H,13-15,17-19H2,(H,29,33)(H,28,30,32).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 478.98 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N'-[2-oxo-2-(2-phenylethylamino)ethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 3204785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).