[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate

C23H23N7O2 — CID 164909180

IUPAC[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
SMILESCn1cc(C[C@H](N)C(=O)Oc2ccccc2/N=N/c2ccc(N)nc2N)c2ccccc21
InChIInChI=1S/C23H23N7O2/c1-30-13-14(15-6-2-4-8-19(15)30)12-16(24)23(31)32-20-9-5-3-7-17(20)28-29-18-10-11-21(25)27-22(18)26/h2-11,13,16H,12,24H2,1H3,(H4,25,26,27)/b29-28+/t16-/m0/s1
InChIKeyGHOYPMIWGXJXNI-UNMOGBHFSA-N
MW429.48 g/mol
LogP3.63
Rot. Bonds6

About [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate

[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate (PubChem CID 164909180) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate.

Molecular Properties

Compound Name[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
PubChem CID164909180
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
SMILESCn1cc(C[C@H](N)C(=O)Oc2ccccc2/N=N/c2ccc(N)nc2N)c2ccccc21
InChIInChI=1S/C23H23N7O2/c1-30-13-14(15-6-2-4-8-19(15)30)12-16(24)23(31)32-20-9-5-3-7-17(20)28-29-18-10-11-21(25)27-22(18)26/h2-11,13,16H,12,24H2,1H3,(H4,25,26,27)/b29-28+/t16-/m0/s1
InChIKeyGHOYPMIWGXJXNI-UNMOGBHFSA-N
XLogP3.63
TPSA146.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.63
H-Bond Donors ≤ 53
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-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] acetate
CID 164909288
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 3,5-dimethylheptanoate
CID 174266374
2-(dimethylamino)ethyl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400954
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483105
3-amino-4-(1-methylindol-3-yl)butanoic acid
CID 53487335
(2S)-2-amino-4,4-dimethyl-1-(1-methylindol-3-yl)pentan-3-one;ethane;molecular hydrogen
CID 177060885
methyl 5-[[(2S)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]pentanoate
CID 58756850
(2R)-2-[[(2R)-2-amino-3-(1-methylindol-3-yl)propanoyl]amino]-3-pyridin-2-ylpropanoic acid
CID 142660945
3-(2-hydroxyphenyl)prop-2-enoyl (2S)-2-amino-3-(1-methylindol-3-yl)propanoate
CID 87281293
ethyl (2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 162305317

Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate?
The IUPAC name of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate (CID 164909180) is [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate.
What is the SMILES notation for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate?
The canonical SMILES for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate is Cn1cc(C[C@H](N)C(=O)Oc2ccccc2/N=N/c2ccc(N)nc2N)c2ccccc21.
What is the InChIKey of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate?
The InChIKey is GHOYPMIWGXJXNI-UNMOGBHFSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-30-13-14(15-6-2-4-8-19(15)30)12-16(24)23(31)32-20-9-5-3-7-17(20)28-29-18-10-11-21(25)27-22(18)26/h2-11,13,16H,12,24H2,1H3,(H4,25,26,27)/b29-28+/t16-/m0/s1.
What are the key properties of [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate?
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate has a molecular weight of 429.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] (2S)-2-amino-3-(1-methylindol-3-yl)propanoate is sourced from PubChem (CID 164909180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).