2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride

C36H46Cl2N12O6 — CID 160977412

IUPAC2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1nc(NC(=O)OC(C)(C)C)ccc1/N=N/c1ccccc1.Cl.Cl.NCC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1
InChIInChI=1S/C23H30N6O5.C13H14N6O.2ClH/c1-22(2,3)33-20(31)24-14-18(30)27-19-16(29-28-15-10-8-7-9-11-15)12-13-17(25-19)26-21(32)34-23(4,5)6;14-8-12(20)17-13-10(6-7-11(15)16-13)19-18-9-4-2-1-3-5-9;;/h7-13H,14H2,1-6H3,(H,24,31)(H2,25,26,27,30,32);1-7H,8,14H2,(H3,15,16,17,20);2*1H/b29-28+;19-18+;;
InChIKeyIURPLJDBWZEQQH-BPDZTQOKSA-N
MW813.75 g/mol
LogP8.13
Rot. Bonds10

About 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride

2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride (PubChem CID 160977412) has the molecular formula C36H46Cl2N12O6 and a molecular weight of 813.75 g/mol. Its IUPAC name is 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride
PubChem CID160977412
Molecular FormulaC36H46Cl2N12O6
Molecular Weight813.75 g/mol
Exact Mass812.30
IUPAC Name2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1nc(NC(=O)OC(C)(C)C)ccc1/N=N/c1ccccc1.Cl.Cl.NCC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1
InChIInChI=1S/C23H30N6O5.C13H14N6O.2ClH/c1-22(2,3)33-20(31)24-14-18(30)27-19-16(29-28-15-10-8-7-9-11-15)12-13-17(25-19)26-21(32)34-23(4,5)6;14-8-12(20)17-13-10(6-7-11(15)16-13)19-18-9-4-2-1-3-5-9;;/h7-13H,14H2,1-6H3,(H,24,31)(H2,25,26,27,30,32);1-7H,8,14H2,(H3,15,16,17,20);2*1H/b29-28+;19-18+;;
InChIKeyIURPLJDBWZEQQH-BPDZTQOKSA-N
XLogP8.13
TPSA262.12 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500813.75
LogP ≤ 58.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride with MolForge

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Related Compounds

[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
(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate
CID 90726409
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
CID 101036428
tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[2-oxo-2-[2-(4-phenoxybutanoylamino)anilino]ethyl]carbamate
CID 108917353
tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate
CID 146265063
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 19349079
tert-butyl N-(6-amino-2-methyl-3-pyridinyl)carbamate
CID 82342800
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
CID 171471952

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride?
The IUPAC name of 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride (CID 160977412) is 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride.
What is the SMILES notation for 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride?
The canonical SMILES for 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride is CC(C)(C)OC(=O)NCC(=O)Nc1nc(NC(=O)OC(C)(C)C)ccc1/N=N/c1ccccc1.Cl.Cl.NCC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1.
What is the InChIKey of 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride?
The InChIKey is IURPLJDBWZEQQH-BPDZTQOKSA-N. The full InChI is InChI=1S/C23H30N6O5.C13H14N6O.2ClH/c1-22(2,3)33-20(31)24-14-18(30)27-19-16(29-28-15-10-8-7-9-11-15)12-13-17(25-19)26-21(32)34-23(4,5)6;14-8-12(20)17-13-10(6-7-11(15)16-13)19-18-9-4-2-1-3-5-9;;/h7-13H,14H2,1-6H3,(H,24,31)(H2,25,26,27,30,32);1-7H,8,14H2,(H3,15,16,17,20);2*1H/b29-28+;19-18+;;.
What are the key properties of 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride?
2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride has a molecular weight of 813.75 g/mol, XLogP of 8.13, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-amino-3-phenyldiazenyl-2-pyridinyl)acetamide;tert-butyl N-[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-5-phenyldiazenyl-2-pyridinyl]carbamate;dihydrochloride is sourced from PubChem (CID 160977412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).