(2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide

C16H19N5O2 — CID 94798555

IUPAC(2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide
SMILESCN(CC(=O)N[C@H](Cc1ccccc1)C(N)=O)c1cnccn1
InChIInChI=1S/C16H19N5O2/c1-21(14-10-18-7-8-19-14)11-15(22)20-13(16(17)23)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11H2,1H3,(H2,17,23)(H,20,22)/t13-/m1/s1
InChIKeyBIMMVWSQXYZPNA-CYBMUJFWSA-N
MW313.36 g/mol
LogP0.13
Rot. Bonds7

About (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide

(2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide (PubChem CID 94798555) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide
PubChem CID94798555
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide
SMILESCN(CC(=O)N[C@H](Cc1ccccc1)C(N)=O)c1cnccn1
InChIInChI=1S/C16H19N5O2/c1-21(14-10-18-7-8-19-14)11-15(22)20-13(16(17)23)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11H2,1H3,(H2,17,23)(H,20,22)/t13-/m1/s1
InChIKeyBIMMVWSQXYZPNA-CYBMUJFWSA-N
XLogP0.13
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(pyrazin-2-yl)amino]-N-propan-2-ylacetamide
CID 39877236
N-(dicyclopropylmethyl)-2-[methyl(pyrazin-2-yl)amino]acetamide
CID 38015220
benzyl N-[2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-N-methylcarbamate
CID 44724470
2-[methyl(pyrazin-2-yl)amino]-N-[1-(5-phenyl-1H-imidazol-2-yl)propyl]acetamide
CID 51128541
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] pyrazine-2-carboxylate
CID 7985817
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-methylpent-4-enamide
CID 145273756
(2S)-2-[[2-(1-methylpyrrol-3-yl)acetyl]amino]-3-phenylpropanamide
CID 29028446
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 123313269
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
2-[[2-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-benzylamino]acetic acid
CID 67430533

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide (CID 94798555) is (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide is CN(CC(=O)N[C@H](Cc1ccccc1)C(N)=O)c1cnccn1.
What is the InChIKey of (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide?
The InChIKey is BIMMVWSQXYZPNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-21(14-10-18-7-8-19-14)11-15(22)20-13(16(17)23)9-12-5-3-2-4-6-12/h2-8,10,13H,9,11H2,1H3,(H2,17,23)(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide?
(2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide has a molecular weight of 313.36 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[methyl(pyrazin-2-yl)amino]acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 94798555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).