[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate

C19H25N7O3 — CID 174265100

IUPAC[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate
SMILESCNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)C(N)C(C)C)c(N)n1
InChIInChI=1S/C19H25N7O3/c1-11(2)17(20)19(28)29-14-7-5-4-6-12(14)25-26-13-8-9-15(24-18(13)21)23-16(27)10-22-3/h4-9,11,17,22H,10,20H2,1-3H3,(H3,21,23,24,27)/b26-25+
InChIKeyZXKRHPVOPFLJPK-OCEACIFDSA-N
MW399.46 g/mol
LogP2.13
Rot. Bonds8

About [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate

[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate (PubChem CID 174265100) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate
PubChem CID174265100
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC Name[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate
SMILESCNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)C(N)C(C)C)c(N)n1
InChIInChI=1S/C19H25N7O3/c1-11(2)17(20)19(28)29-14-7-5-4-6-12(14)25-26-13-8-9-15(24-18(13)21)23-16(27)10-22-3/h4-9,11,17,22H,10,20H2,1-3H3,(H3,21,23,24,27)/b26-25+
InChIKeyZXKRHPVOPFLJPK-OCEACIFDSA-N
XLogP2.13
TPSA157.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.13
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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Related Compounds

[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 3-methylbutanoate
CID 174263736
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]methyl methyl carbonate
CID 164909193
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
CID 174260704
[2-[[2-amino-6-[(2-benzamidoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260658
[2-[[2-amino-6-[(2-aminoacetyl)amino]-3-pyridinyl]diazenyl]phenyl] (2S)-3-hydroxy-2-methylpropanoate
CID 174261142
[2-[[2-amino-6-[[(2S)-2,6-diaminohexanoyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-methylpropanoate
CID 174260521
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) 2-amino-3-methylbutanoate
CID 164909199
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 2-methylbutanoate;N-methylmethanamine
CID 164908820
[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]-methylphosphinic acid
CID 174260701
[2-[[2-amino-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 5-methyl-2-oxo-1,3-dioxole-4-carboxylate
CID 174260997
(2-aminophenyl) 2,3-dihydroxypropanoate;N-(5,6-diamino-2-pyridinyl)-2-(methylamino)acetamide
CID 164908700
1-[2-[[2-amino-6-[[(2S)-2-aminopropanoyl]amino]-3-pyridinyl]diazenyl]phenoxy]ethyl propan-2-yl carbonate
CID 164908836

Frequently Asked Questions

What is the IUPAC name of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate?
The IUPAC name of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate (CID 174265100) is [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate.
What is the SMILES notation for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate?
The canonical SMILES for [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate is CNCC(=O)Nc1ccc(/N=N/c2ccccc2OC(=O)C(N)C(C)C)c(N)n1.
What is the InChIKey of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate?
The InChIKey is ZXKRHPVOPFLJPK-OCEACIFDSA-N. The full InChI is InChI=1S/C19H25N7O3/c1-11(2)17(20)19(28)29-14-7-5-4-6-12(14)25-26-13-8-9-15(24-18(13)21)23-16(27)10-22-3/h4-9,11,17,22H,10,20H2,1-3H3,(H3,21,23,24,27)/b26-25+.
What are the key properties of [2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate?
[2-[[2-amino-6-[[2-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate has a molecular weight of 399.46 g/mol, XLogP of 2.13, 8 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-(methylamino)acetyl]amino]-3-pyridinyl]diazenyl]phenyl] 2-amino-3-methylbutanoate is sourced from PubChem (CID 174265100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).