5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride

C11H13Cl2N3O2 — CID 69452250

IUPAC5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2ccncc2)o1
InChIInChI=1S/C11H11N3O2.2ClH/c12-7-9-1-2-10(16-9)11(15)14-8-3-5-13-6-4-8;;/h1-6H,7,12H2,(H,13,14,15);2*1H
InChIKeyXPYQRSDOZHBLSZ-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.23
Rot. Bonds3

About 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride

5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride (PubChem CID 69452250) has the molecular formula C11H13Cl2N3O2 and a molecular weight of 290.15 g/mol. Its IUPAC name is 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
PubChem CID69452250
Molecular FormulaC11H13Cl2N3O2
Molecular Weight290.15 g/mol
Exact Mass289.04
IUPAC Name5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(C(=O)Nc2ccncc2)o1
InChIInChI=1S/C11H11N3O2.2ClH/c12-7-9-1-2-10(16-9)11(15)14-8-3-5-13-6-4-8;;/h1-6H,7,12H2,(H,13,14,15);2*1H
InChIKeyXPYQRSDOZHBLSZ-UHFFFAOYSA-N
XLogP2.23
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
5-methyl-N-pyridin-4-ylfuran-2-carboxamide
CID 897103
5-[(4-iodophenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19417254
5-[(4-acetylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455200
5-(aminomethyl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)furan-2-carboxamide
CID 114387413
5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19455416
5-(4-acetylphenyl)-N-pyridin-4-ylfuran-2-carboxamide
CID 18109203
5-ethyl-N-[4-(hydroxymethyl)phenyl]furan-2-carboxamide
CID 64793917
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-pyridin-4-ylfuran-2-carboxamide
CID 19447010
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
1-[[5-(aminomethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161794

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride?
The IUPAC name of 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride (CID 69452250) is 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride.
What is the SMILES notation for 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride?
The canonical SMILES for 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride is Cl.Cl.NCc1ccc(C(=O)Nc2ccncc2)o1.
What is the InChIKey of 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride?
The InChIKey is XPYQRSDOZHBLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.2ClH/c12-7-9-1-2-10(16-9)11(15)14-8-3-5-13-6-4-8;;/h1-6H,7,12H2,(H,13,14,15);2*1H.
What are the key properties of 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride?
5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride has a molecular weight of 290.15 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-pyridin-4-ylfuran-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69452250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).