N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide

C13H15N3O2 — CID 91676109

IUPACN-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccco2)cc1N
InChIInChI=1S/C13H15N3O2/c1-16(2)11-6-5-9(8-10(11)14)15-13(17)12-4-3-7-18-12/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyBQDBTVFMZXXYKF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.18
Rot. Bonds3

About N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide

N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide (PubChem CID 91676109) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
PubChem CID91676109
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2ccco2)cc1N
InChIInChI=1S/C13H15N3O2/c1-16(2)11-6-5-9(8-10(11)14)15-13(17)12-4-3-7-18-12/h3-8H,14H2,1-2H3,(H,15,17)
InChIKeyBQDBTVFMZXXYKF-UHFFFAOYSA-N
XLogP2.18
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-(diethylamino)phenyl]furan-2-carboxamide
CID 91676108
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[3-[[tert-butylcarbamoyl(furan-2-ylmethyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 46138547
N-[4-(dimethylamino)-3-[[2-ethylbutanoyl(furan-2-ylmethyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42817244
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[3-[[cyclohexyl(2,2-dimethylpropanoyl)amino]methyl]-4-(dimethylamino)phenyl]furan-2-carboxamide
CID 42817047
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]furan-2-carboxamide
CID 47385052
N-[4-(dimethylamino)-3-[[2,2-dimethylpropanoyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]furan-2-carboxamide
CID 42816360
N-[4-[(4-amino-3-chlorophenyl)carbamothioylamino]phenyl]furan-2-carboxamide
CID 57105287
N-(3-bromo-4-hydroxyphenyl)furan-2-carboxamide
CID 5090166
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide (CID 91676109) is N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide is CN(C)c1ccc(NC(=O)c2ccco2)cc1N.
What is the InChIKey of N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide?
The InChIKey is BQDBTVFMZXXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(2)11-6-5-9(8-10(11)14)15-13(17)12-4-3-7-18-12/h3-8H,14H2,1-2H3,(H,15,17).
What are the key properties of N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide?
N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(dimethylamino)phenyl]furan-2-carboxamide is sourced from PubChem (CID 91676109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).