[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate

C19H25N7O3 — CID 164908596

IUPAC[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)[C@H](C)N)nc1N
InChIInChI=1S/C19H25N7O3/c1-10(2)16(21)19(28)29-14-7-5-4-6-12(14)25-26-13-8-9-15(23-17(13)22)24-18(27)11(3)20/h4-11,16H,20-21H2,1-3H3,(H3,22,23,24,27)/b26-25+/t11-,16-/m0/s1
InChIKeyNIIIYLCWQBGAFW-YLAZSRFLSA-N
MW399.46 g/mol
LogP2.25
Rot. Bonds7

About [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate

[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate (PubChem CID 164908596) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate
PubChem CID164908596
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)[C@H](C)N)nc1N
InChIInChI=1S/C19H25N7O3/c1-10(2)16(21)19(28)29-14-7-5-4-6-12(14)25-26-13-8-9-15(23-17(13)22)24-18(27)11(3)20/h4-11,16H,20-21H2,1-3H3,(H3,22,23,24,27)/b26-25+/t11-,16-/m0/s1
InChIKeyNIIIYLCWQBGAFW-YLAZSRFLSA-N
XLogP2.25
TPSA171.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

N'-(2-ethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205199
[2-[[2-Amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2,2,2-trifluoroacetate
CID 175516437
(2S)-2-amino-N-[2-[[5-(4-fluorophenoxy)-2-pyridinyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 120171187
N'-(2-methoxyphenyl)-N'-[2-(3-methylbutylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205142
N-(2-ethoxyphenyl)-N-{[N-(3-methylbutyl)carbamoyl]methyl}-N'-(2-pyridyl)butane-1,4-diamide
CID 3205143
1-O-[4-[(3-amino-2-pyridinyl)amino]phenyl] 3-O-tert-butyl 2-aminopropanedioate
CID 67644962
tert-butyl N-[1-(N-(3-amino-6-methoxy-2-pyridinyl)anilino)-1-oxobutan-2-yl]carbamate
CID 70922470
tert-butyl N-[(2S)-1-(N-(3-amino-6-methoxy-2-pyridinyl)anilino)-1-oxobutan-2-yl]carbamate
CID 70922471
tert-butyl N-[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 70922678
tert-butyl N-[(2S)-1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 70922681
[1-(N-(3-amino-2-pyridinyl)-2-methoxyanilino)-1-oxopropan-2-yl]carbamic acid
CID 70922796
2-amino-8-phenoxy-4H-pyrido[2,3-b]pyrazin-3-one;ethane;methanamine
CID 90800918

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
The IUPAC name of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate (CID 164908596) is [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)[C@H](C)N)nc1N.
What is the InChIKey of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
The InChIKey is NIIIYLCWQBGAFW-YLAZSRFLSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-10(2)16(21)19(28)29-14-7-5-4-6-12(14)25-26-13-8-9-15(23-17(13)22)24-18(27)11(3)20/h4-11,16H,20-21H2,1-3H3,(H3,22,23,24,27)/b26-25+/t11-,16-/m0/s1.
What are the key properties of [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 399.46 g/mol, XLogP of 2.25, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 164908596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).