(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate

C20H27N5O2 — CID 90726409

IUPAC(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate
SMILESCCC(CC)C(C)COC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1
InChIInChI=1S/C20H27N5O2/c1-4-15(5-2)14(3)13-27-20(26)23-19-17(11-12-18(21)22-19)25-24-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H3,21,22,23,26)/b25-24+
InChIKeySQQZCALSLBUWSA-OCOZRVBESA-N
MW369.47 g/mol
LogP5.70
Rot. Bonds8

About (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate

(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate (PubChem CID 90726409) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate
PubChem CID90726409
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate
SMILESCCC(CC)C(C)COC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1
InChIInChI=1S/C20H27N5O2/c1-4-15(5-2)14(3)13-27-20(26)23-19-17(11-12-18(21)22-19)25-24-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H3,21,22,23,26)/b25-24+
InChIKeySQQZCALSLBUWSA-OCOZRVBESA-N
XLogP5.70
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-amino-3-[(2-methoxyphenyl)diazenyl]-2-pyridinyl]acetamide
CID 164908733
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
acetic acid;methanol;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173010662
acetyl chloride;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 87308906
(6-acetamido-2-amino-5-phenyldiazenyl-3-pyridinyl) methyl carbonate
CID 164909107
[2-acetamido-6-(methoxycarbonylamino)-5-phenyldiazenyl-3-pyridinyl] butanoate
CID 164909098
[2-[(2,6-diamino-3-pyridinyl)diazenyl]phenyl] 2-methylbutanoate;N-methylmethanamine
CID 164908820
ethyl N-[2-amino-6-(nonylamino)-5-phenyldiazenyl-3-pyridinyl]carbamate
CID 110180500
3-phenyldiazenylpyridine-2,6-diamine;hydrate
CID 139146043
2,3-dimethylpentyl N-(4-methoxyphenyl)carbamate
CID 155404047
chloromethane;octadecanamide;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride
CID 173035225
undecyl N-(4-phenyldiazenylphenyl)carbamate
CID 523158

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate?
The IUPAC name of (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate (CID 90726409) is (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate.
What is the SMILES notation for (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate?
The canonical SMILES for (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate is CCC(CC)C(C)COC(=O)Nc1nc(N)ccc1/N=N/c1ccccc1.
What is the InChIKey of (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate?
The InChIKey is SQQZCALSLBUWSA-OCOZRVBESA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-15(5-2)14(3)13-27-20(26)23-19-17(11-12-18(21)22-19)25-24-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H3,21,22,23,26)/b25-24+.
What are the key properties of (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate?
(3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate has a molecular weight of 369.47 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-methylpentyl) N-(6-amino-3-phenyldiazenyl-2-pyridinyl)carbamate is sourced from PubChem (CID 90726409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).