(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone

C14H10N2O2 — CID 10776291

IUPAC(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone
SMILESNc1c(C(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C14H10N2O2/c15-12-10-3-1-2-4-11(10)18-14(12)13(17)9-5-7-16-8-6-9/h1-8H,15H2
InChIKeyRQHPIGKVUAOAMT-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.64
Rot. Bonds2

About (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone

(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone (PubChem CID 10776291) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone
PubChem CID10776291
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone
SMILESNc1c(C(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C14H10N2O2/c15-12-10-3-1-2-4-11(10)18-14(12)13(17)9-5-7-16-8-6-9/h1-8H,15H2
InChIKeyRQHPIGKVUAOAMT-UHFFFAOYSA-N
XLogP2.64
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Pyridin-3-ylfuran-2-yl)methanamine
CID 11332763
N-(2-chloropyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1945906
4-(2-Benzofuranyl)pyridine
CID 65590
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 7677977
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572
5-[[3-(1-Benzofuran-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156875
[5-(4-Pyridin-4-yl-3-pyridinyl)furan-2-yl]methanamine;trihydrochloride
CID 145974556
N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide
CID 1503572
5-(2-methylpropyl)-N-[4-(pyridin-4-ylmethyl)phenyl]furan-2-carboxamide
CID 5295600

Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone (CID 10776291) is (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone is Nc1c(C(=O)c2ccncc2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone?
The InChIKey is RQHPIGKVUAOAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c15-12-10-3-1-2-4-11(10)18-14(12)13(17)9-5-7-16-8-6-9/h1-8H,15H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone?
(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone has a molecular weight of 238.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 10776291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).