3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide

C22H23N5O3 — CID 56556873

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C22H23N5O3/c1-27(16-17-6-3-2-4-7-17)22(29)25-11-10-20(28)26-18-8-5-9-19(14-18)30-21-15-23-12-13-24-21/h2-9,12-15H,10-11,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyHDHWZQOKSKZNCP-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.44
Rot. Bonds8

About 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide (PubChem CID 56556873) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide
PubChem CID56556873
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(Oc2cnccn2)c1
InChIInChI=1S/C22H23N5O3/c1-27(16-17-6-3-2-4-7-17)22(29)25-11-10-20(28)26-18-8-5-9-19(14-18)30-21-15-23-12-13-24-21/h2-9,12-15H,10-11,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyHDHWZQOKSKZNCP-UHFFFAOYSA-N
XLogP3.44
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 56580226
2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-fluorophenyl]acetic acid
CID 122109906
N-(3-amino-4-methoxyphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 119419694
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
CID 56513837
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581863
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(3-pyrazin-2-yloxyphenyl)propanamide
CID 39263709
N'-benzyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108946133
methyl 2-[[2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]phenyl]acetyl]amino]acetate
CID 56513173
1-benzyl-3-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylurea
CID 60610844
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
CID 56514342
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 56540324
N-benzyl-N-methyl-3-[(2-phenoxyacetyl)amino]benzamide
CID 26162773

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide (CID 56556873) is 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1cccc(Oc2cnccn2)c1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide?
The InChIKey is HDHWZQOKSKZNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-27(16-17-6-3-2-4-7-17)22(29)25-11-10-20(28)26-18-8-5-9-19(14-18)30-21-15-23-12-13-24-21/h2-9,12-15H,10-11,16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide has a molecular weight of 405.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide is sourced from PubChem (CID 56556873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).