[2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid

C10H12N4O2 — CID 18613416

IUPAC[2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid
SMILESCN(C)c1cc(NC(=O)O)c(N)cc1C#N
InChIInChI=1S/C10H12N4O2/c1-14(2)9-4-8(13-10(15)16)7(12)3-6(9)5-11/h3-4,13H,12H2,1-2H3,(H,15,16)
InChIKeyOJUOBZOYVJDMQM-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.30
Rot. Bonds2

About [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid

[2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid (PubChem CID 18613416) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid
PubChem CID18613416
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name[2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid
SMILESCN(C)c1cc(NC(=O)O)c(N)cc1C#N
InChIInChI=1S/C10H12N4O2/c1-14(2)9-4-8(13-10(15)16)7(12)3-6(9)5-11/h3-4,13H,12H2,1-2H3,(H,15,16)
InChIKeyOJUOBZOYVJDMQM-UHFFFAOYSA-N
XLogP1.30
TPSA102.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-4-cyano-5-[methyl(propan-2-yl)amino]phenyl]carbamic acid
CID 18613467
[2-amino-4-cyano-5-(diethylamino)phenyl]carbamic acid
CID 18613083
(2-amino-4-cyano-5-morpholin-4-ylphenyl)carbamic acid
CID 18548746
[2-amino-4-chloro-5-[methyl(propyl)amino]phenyl]carbamic acid
CID 18613380
[2-amino-5-[bis(3-methoxy-3-oxopropyl)amino]-4-methoxyphenyl]carbamic acid
CID 167055796
[2-[[3-(3-cyanophenyl)-3-oxopropanoyl]amino]-5-(dimethylamino)-4-(trifluoromethyl)phenyl]carbamic acid
CID 18613257
2-amino-4-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 115376212
2-amino-3-[3-(dimethylamino)-4-methylanilino]benzonitrile
CID 104716981
ethyl 2-[2-cyano-5-(dimethylamino)anilino]-2-oxoacetate
CID 12715741
[2-amino-5-(4-methylpiperazin-1-yl)-4-(2-phenylethynyl)phenyl]carbamic acid
CID 157230317
N-acetyl-N-(4-bromo-2-cyanophenyl)acetamide
CID 59418663
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid?
The IUPAC name of [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid (CID 18613416) is [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid?
The canonical SMILES for [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid is CN(C)c1cc(NC(=O)O)c(N)cc1C#N.
What is the InChIKey of [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid?
The InChIKey is OJUOBZOYVJDMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-14(2)9-4-8(13-10(15)16)7(12)3-6(9)5-11/h3-4,13H,12H2,1-2H3,(H,15,16).
What are the key properties of [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid?
[2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid has a molecular weight of 220.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-cyano-5-(dimethylamino)phenyl]carbamic acid is sourced from PubChem (CID 18613416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).