3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide

C25H27N5O3 — CID 56580226

IUPAC3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C25H27N5O3/c1-30(18-19-8-3-2-4-9-19)25(33)27-15-13-23(31)29-21-12-7-10-20(16-21)24(32)28-17-22-11-5-6-14-26-22/h2-12,14,16H,13,15,17-18H2,1H3,(H,27,33)(H,28,32)(H,29,31)
InChIKeyUXLREZDWVQCMDK-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.18
Rot. Bonds9

About 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide

3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 56580226) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID56580226
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C25H27N5O3/c1-30(18-19-8-3-2-4-9-19)25(33)27-15-13-23(31)29-21-12-7-10-20(16-21)24(32)28-17-22-11-5-6-14-26-22/h2-12,14,16H,13,15,17-18H2,1H3,(H,27,33)(H,28,32)(H,29,31)
InChIKeyUXLREZDWVQCMDK-UHFFFAOYSA-N
XLogP3.18
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-[3-(pyridin-2-ylmethylcarbamoyl)anilino]propyl]thiophene-3-carboxamide
CID 55783677
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide
CID 56556873
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 55783941
3-[2-(3-methoxy-4-methylanilino)-2-oxoethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 101015453
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581863
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-(3-acetylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 61346260
N-(pyridin-2-ylmethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 31860864
2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-fluorophenyl]acetic acid
CID 122109906
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide (CID 56580226) is 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is UXLREZDWVQCMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-30(18-19-8-3-2-4-9-19)25(33)27-15-13-23(31)29-21-12-7-10-20(16-21)24(32)28-17-22-11-5-6-14-26-22/h2-12,14,16H,13,15,17-18H2,1H3,(H,27,33)(H,28,32)(H,29,31).
What are the key properties of 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide?
3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.18, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 56580226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).