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

C18H23N7O3 — CID 164908655

IUPAC[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C18H23N7O3/c1-10(2)16(20)18(27)28-13-6-4-3-5-11(13)24-25-12-7-8-14(23-17(12)21)22-15(26)9-19/h3-8,10,16H,9,19-20H2,1-2H3,(H3,21,22,23,26)/b25-24+/t16-/m0/s1
InChIKeyQHJZRFWFRCUQBD-UPCARPLXSA-N
MW385.43 g/mol
LogP1.87
Rot. Bonds7

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

[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate (PubChem CID 164908655) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate
PubChem CID164908655
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate
SMILESCC(C)[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C18H23N7O3/c1-10(2)16(20)18(27)28-13-6-4-3-5-11(13)24-25-12-7-8-14(23-17(12)21)22-15(26)9-19/h3-8,10,16H,9,19-20H2,1-2H3,(H3,21,22,23,26)/b25-24+/t16-/m0/s1
InChIKeyQHJZRFWFRCUQBD-UPCARPLXSA-N
XLogP1.87
TPSA171.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.87
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-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate with MolForge

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Related Compounds

N-(2-Ethoxyphenyl)-N-{[(2-methoxyethyl)carbamoyl]methyl}-N'-(pyridin-2-YL)succinamide
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-{[(3-methylbutyl)carbamoyl]methyl}-N'-(pyridin-2-YL)succinamide
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-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
The IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate (CID 164908655) is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate.
What is the SMILES notation for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
The canonical SMILES for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate is CC(C)[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N.
What is the InChIKey of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
The InChIKey is QHJZRFWFRCUQBD-UPCARPLXSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-10(2)16(20)18(27)28-13-6-4-3-5-11(13)24-25-12-7-8-14(23-17(12)21)22-15(26)9-19/h3-8,10,16H,9,19-20H2,1-2H3,(H3,21,22,23,26)/b25-24+/t16-/m0/s1.
What are the key properties of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate?
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate has a molecular weight of 385.43 g/mol, XLogP of 1.87, 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-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-amino-3-methylbutanoate is sourced from PubChem (CID 164908655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).