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

C16H19N7O3 — CID 164908588

IUPAC[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C16H19N7O3/c1-9(18)16(25)26-12-5-3-2-4-10(12)22-23-11-6-7-13(21-15(11)19)20-14(24)8-17/h2-7,9H,8,17-18H2,1H3,(H3,19,20,21,24)/b23-22+/t9-/m0/s1
InChIKeySJHLSGNCCPIVBJ-FUWUYMEBSA-N
MW357.37 g/mol
LogP1.23
Rot. Bonds6

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

[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate (PubChem CID 164908588) has the molecular formula C16H19N7O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate
PubChem CID164908588
Molecular FormulaC16H19N7O3
Molecular Weight357.37 g/mol
Exact Mass357.15
IUPAC Name[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1/N=N/c1ccc(NC(=O)CN)nc1N
InChIInChI=1S/C16H19N7O3/c1-9(18)16(25)26-12-5-3-2-4-10(12)22-23-11-6-7-13(21-15(11)19)20-14(24)8-17/h2-7,9H,8,17-18H2,1H3,(H3,19,20,21,24)/b23-22+/t9-/m0/s1
InChIKeySJHLSGNCCPIVBJ-FUWUYMEBSA-N
XLogP1.23
TPSA171.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.23
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'}

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Launch Full Analysis

Related Compounds

ethyl N-[5-amino-2-methyl-3-(phenoxymethyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 15105325
N-(6-methyl-2-pyridinyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4580576
N'-(2-ethoxyphenyl)-N'-[2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 3205199
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-ylamino)propan-1-one
CID 2729091
4-(2-methoxyphenyl)-3-oxo-N-propan-2-ylpyrido[2,3-b]pyrazine-2-carboxamide
CID 134800098
Methyl 2-[[4-(2-methoxyphenyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]amino]acetate
CID 134800143
tert-butyl N-[2-[(2-fluoro-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
CID 140639509
tert-butyl N-[2-(4-fluoro-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl)oxyphenyl]carbamate
CID 140639510
[2-[[2-Amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2,2,2-trifluoroacetate
CID 175516437
N1-(2-(4-fluorophenoxy)ethyl)-N2-(6-methylpyridin-2-yl)oxalamide
CID 45586405
3-[[N-ethyl-N'-[2-(4-fluorophenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111677784
3-[[N-ethyl-N'-[2-(3-fluorophenoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 111681004

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
The IUPAC name of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate (CID 164908588) is [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate.
What is the SMILES notation for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
The canonical SMILES for [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate is 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-aminopropanoate?
The InChIKey is SJHLSGNCCPIVBJ-FUWUYMEBSA-N. The full InChI is InChI=1S/C16H19N7O3/c1-9(18)16(25)26-12-5-3-2-4-10(12)22-23-11-6-7-13(21-15(11)19)20-14(24)8-17/h2-7,9H,8,17-18H2,1H3,(H3,19,20,21,24)/b23-22+/t9-/m0/s1.
What are the key properties of [2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate?
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-2-aminopropanoate has a molecular weight of 357.37 g/mol, XLogP of 1.23, 6 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-aminopropanoate is sourced from PubChem (CID 164908588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).