5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide

C8H13N3O2 — CID 69060619

IUPAC5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide
SMILESCN(C)CNC(=O)c1ccc(N)o1
InChIInChI=1S/C8H13N3O2/c1-11(2)5-10-8(12)6-3-4-7(9)13-6/h3-4H,5,9H2,1-2H3,(H,10,12)
InChIKeyVMAOMZNHQXNHPN-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.11
Rot. Bonds3

About 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide

5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide (PubChem CID 69060619) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide
PubChem CID69060619
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide
SMILESCN(C)CNC(=O)c1ccc(N)o1
InChIInChI=1S/C8H13N3O2/c1-11(2)5-10-8(12)6-3-4-7(9)13-6/h3-4H,5,9H2,1-2H3,(H,10,12)
InChIKeyVMAOMZNHQXNHPN-UHFFFAOYSA-N
XLogP0.11
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-5-methyl-2-furamide
CID 845128
2-Furancarboxamide, N-(aminocarbonyl)-5-nitro-
CID 205365
2-Furancarboxamide, N-((methylamino)carbonyl)-
CID 3046478
Urea, 1-butyl-3-(2-furoyl)-
CID 3060900
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)furan-2-carboxamide
CID 868258
5-(2-bromopropanoylamino)-N-carbamoylfuran-2-carboxamide
CID 44576981
5-[(2-bromoacetyl)amino]-N-carbamoylfuran-2-carboxamide
CID 44576982
5-nitro-N-propylfuran-2-carboxamide
CID 3312707
5-nitro-N-propan-2-ylfuran-2-carboxamide
CID 17146066
N-[3-(dimethylamino)propyl]-5-nitrofuran-2-carboxamide
CID 2247579
N-[3-(diethylamino)propyl]-5-nitrofuran-2-carboxamide
CID 3312702
N-(butan-2-yl)-5-nitrofuran-2-carboxamide
CID 4273319

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide?
The IUPAC name of 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide (CID 69060619) is 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide?
The canonical SMILES for 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide is CN(C)CNC(=O)c1ccc(N)o1.
What is the InChIKey of 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide?
The InChIKey is VMAOMZNHQXNHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-11(2)5-10-8(12)6-3-4-7(9)13-6/h3-4H,5,9H2,1-2H3,(H,10,12).
What are the key properties of 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide?
5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide has a molecular weight of 183.21 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(dimethylamino)methyl]furan-2-carboxamide is sourced from PubChem (CID 69060619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).