2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate

C14H19N5O3 — CID 164909161

IUPAC2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccc(N)c(N)n1.COc1ccccc1N
InChIInChI=1S/C7H10N4O2.C7H9NO/c1-13-7(12)11-5-3-2-4(8)6(9)10-5;1-9-7-5-3-2-4-6(7)8/h2-3H,8H2,1H3,(H3,9,10,11,12);2-5H,8H2,1H3
InChIKeyYZXZCSRGJWLBQJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.70
Rot. Bonds2

About 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate

2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate (PubChem CID 164909161) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate.

Molecular Properties

Compound Name2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
PubChem CID164909161
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate
SMILESCOC(=O)Nc1ccc(N)c(N)n1.COc1ccccc1N
InChIInChI=1S/C7H10N4O2.C7H9NO/c1-13-7(12)11-5-3-2-4(8)6(9)10-5;1-9-7-5-3-2-4-6(7)8/h2-3H,8H2,1H3,(H3,9,10,11,12);2-5H,8H2,1H3
InChIKeyYZXZCSRGJWLBQJ-UHFFFAOYSA-N
XLogP1.70
TPSA138.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) 2-amino-3-methylbutanoate
CID 164909199
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;(2-aminophenyl) cyclopropanecarboxylate;ethane
CID 164908912
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;(2-aminophenyl) 3-(dimethylamino)propanoate
CID 164909099
(2-aminophenyl) 2,3-dihydroxypropanoate;N-(5,6-diamino-2-pyridinyl)-2-(methylamino)acetamide
CID 164908700
2-methoxyaniline;dihydrochloride
CID 69020746
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;2-aminophenol;methanol;yttrium
CID 164909132
3-amino-N-(5,6-diamino-2-pyridinyl)propanamide;1-(2-aminophenoxy)ethyl propan-2-yl carbonate;ethane
CID 164909252
2-methoxyaniline;titanium;trihydrochloride
CID 174872226
CID 164909055
CID 164909055
2-amino-N-(5,6-diamino-2-pyridinyl)acetamide;4-[(2-aminophenoxy)methyl]-1,3-dioxol-2-one
CID 164908857
2,3-dihydroxybutanedioic acid;2-methoxyaniline
CID 175318404
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168

Frequently Asked Questions

What is the IUPAC name of 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate?
The IUPAC name of 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate (CID 164909161) is 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate.
What is the SMILES notation for 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate?
The canonical SMILES for 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate is COC(=O)Nc1ccc(N)c(N)n1.COc1ccccc1N.
What is the InChIKey of 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate?
The InChIKey is YZXZCSRGJWLBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2.C7H9NO/c1-13-7(12)11-5-3-2-4(8)6(9)10-5;1-9-7-5-3-2-4-6(7)8/h2-3H,8H2,1H3,(H3,9,10,11,12);2-5H,8H2,1H3.
What are the key properties of 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate?
2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate has a molecular weight of 305.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyaniline;methyl N-(5,6-diamino-2-pyridinyl)carbamate is sourced from PubChem (CID 164909161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).