5-amino-2-(dimethylamino)-4-formylbenzamide

C10H13N3O2 — CID 174597288

IUPAC5-amino-2-(dimethylamino)-4-formylbenzamide
SMILESCN(C)c1cc(C=O)c(N)cc1C(N)=O
InChIInChI=1S/C10H13N3O2/c1-13(2)9-3-6(5-14)8(11)4-7(9)10(12)15/h3-5H,11H2,1-2H3,(H2,12,15)
InChIKeyBZBAHYDQFNPXGI-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.25
Rot. Bonds3

About 5-amino-2-(dimethylamino)-4-formylbenzamide

5-amino-2-(dimethylamino)-4-formylbenzamide (PubChem CID 174597288) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-4-formylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-4-formylbenzamide
PubChem CID174597288
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name5-amino-2-(dimethylamino)-4-formylbenzamide
SMILESCN(C)c1cc(C=O)c(N)cc1C(N)=O
InChIInChI=1S/C10H13N3O2/c1-13(2)9-3-6(5-14)8(11)4-7(9)10(12)15/h3-5H,11H2,1-2H3,(H2,12,15)
InChIKeyBZBAHYDQFNPXGI-UHFFFAOYSA-N
XLogP0.25
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-formyl-5-methoxybenzamide
CID 58768479
2-carbamoyl-5-formylterephthalic acid
CID 89087191
ethane;2-formyl-9H-benzo[7]annulene-3-carboxamide
CID 142848355
5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
5-(2,2-dicyanoethenylamino)-2-(dimethylamino)benzamide
CID 168543669
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
[(2,4-diformyl-5-methylbenzoyl)-methylamino]methyl nitrate
CID 163300325
2-amino-5-bromo-4-fluorobenzaldehyde;methanol
CID 164870207
2-amino-5-hydroxy-4-methoxybenzaldehyde
CID 123401327
2-amino-4-bromo-5-chlorobenzaldehyde
CID 118953742
5-amino-2-methyl-4-piperidin-1-ylbenzamide
CID 146170473

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-4-formylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-4-formylbenzamide (CID 174597288) is 5-amino-2-(dimethylamino)-4-formylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-4-formylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-4-formylbenzamide is CN(C)c1cc(C=O)c(N)cc1C(N)=O.
What is the InChIKey of 5-amino-2-(dimethylamino)-4-formylbenzamide?
The InChIKey is BZBAHYDQFNPXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13(2)9-3-6(5-14)8(11)4-7(9)10(12)15/h3-5H,11H2,1-2H3,(H2,12,15).
What are the key properties of 5-amino-2-(dimethylamino)-4-formylbenzamide?
5-amino-2-(dimethylamino)-4-formylbenzamide has a molecular weight of 207.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-4-formylbenzamide is sourced from PubChem (CID 174597288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).