2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide

C13H15N3O2 — CID 113332915

IUPAC2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(N)=O)c2N)o1
InChIInChI=1S/C13H15N3O2/c1-8-5-6-9(18-8)7-16-11-4-2-3-10(12(11)14)13(15)17/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyPKQHCOJGYZMJJR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.88
Rot. Bonds4

About 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide

2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide (PubChem CID 113332915) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
PubChem CID113332915
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide
SMILESCc1ccc(CNc2cccc(C(N)=O)c2N)o1
InChIInChI=1S/C13H15N3O2/c1-8-5-6-9(18-8)7-16-11-4-2-3-10(12(11)14)13(15)17/h2-6,16H,7,14H2,1H3,(H2,15,17)
InChIKeyPKQHCOJGYZMJJR-UHFFFAOYSA-N
XLogP1.88
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.88
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

3-amino-2-[(5-methylfuran-2-yl)methylamino]benzamide
CID 112578801
methyl N'-[(E)-2-amino-1-hydroxy-2-[2-[(5-methylfuran-2-yl)methylamino]phenyl]ethenyl]carbamimidothioate
CID 143260983
2-amino-3-(2,4,4-trimethylpentan-2-ylamino)benzamide
CID 115545611
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-amino-3-(2-methylsulfonylethylamino)benzamide
CID 115544080
3-amino-4-[(5-methylfuran-2-yl)methylamino]benzoic acid
CID 55081894
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
2-amino-3-(1,2,4-oxadiazol-3-ylmethylamino)benzamide
CID 106407353
2-iodo-N-[(5-methylfuran-2-yl)methyl]aniline
CID 28978222
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbenzoic acid
CID 64578617
2-amino-3-(3-methylsulfonylpropylamino)benzamide
CID 115545630
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide?
The IUPAC name of 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide (CID 113332915) is 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide.
What is the SMILES notation for 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide?
The canonical SMILES for 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide is Cc1ccc(CNc2cccc(C(N)=O)c2N)o1.
What is the InChIKey of 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide?
The InChIKey is PKQHCOJGYZMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-5-6-9(18-8)7-16-11-4-2-3-10(12(11)14)13(15)17/h2-6,16H,7,14H2,1H3,(H2,15,17).
What are the key properties of 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide?
2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(5-methylfuran-2-yl)methylamino]benzamide is sourced from PubChem (CID 113332915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).