(5-methylfuran-3-yl)-pyridin-3-ylmethanamine

C11H12N2O — CID 115799285

IUPAC(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
SMILESCc1cc(C(N)c2cccnc2)co1
InChIInChI=1S/C11H12N2O/c1-8-5-10(7-14-8)11(12)9-3-2-4-13-6-9/h2-7,11H,12H2,1H3
InChIKeyQHWWMRNNLORSDH-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.03
Rot. Bonds2

About (5-methylfuran-3-yl)-pyridin-3-ylmethanamine

(5-methylfuran-3-yl)-pyridin-3-ylmethanamine (PubChem CID 115799285) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (5-methylfuran-3-yl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
PubChem CID115799285
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(5-methylfuran-3-yl)-pyridin-3-ylmethanamine
SMILESCc1cc(C(N)c2cccnc2)co1
InChIInChI=1S/C11H12N2O/c1-8-5-10(7-14-8)11(12)9-3-2-4-13-6-9/h2-7,11H,12H2,1H3
InChIKeyQHWWMRNNLORSDH-UHFFFAOYSA-N
XLogP2.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
(S)-furan-2-yl(pyridin-3-yl)methanamine
CID 51441630
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(2-methylpyrimidin-4-yl)-pyridin-3-ylmethanamine
CID 115530395
(3,5-dimethylphenyl)-(5-methylfuran-3-yl)methanamine
CID 115796793
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
CID 115799088
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
(2-methoxy-4-pyridinyl)-pyridin-3-ylmethanamine
CID 122688967

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-3-yl)-pyridin-3-ylmethanamine?
The IUPAC name of (5-methylfuran-3-yl)-pyridin-3-ylmethanamine (CID 115799285) is (5-methylfuran-3-yl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (5-methylfuran-3-yl)-pyridin-3-ylmethanamine?
The canonical SMILES for (5-methylfuran-3-yl)-pyridin-3-ylmethanamine is Cc1cc(C(N)c2cccnc2)co1.
What is the InChIKey of (5-methylfuran-3-yl)-pyridin-3-ylmethanamine?
The InChIKey is QHWWMRNNLORSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-5-10(7-14-8)11(12)9-3-2-4-13-6-9/h2-7,11H,12H2,1H3.
What are the key properties of (5-methylfuran-3-yl)-pyridin-3-ylmethanamine?
(5-methylfuran-3-yl)-pyridin-3-ylmethanamine has a molecular weight of 188.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-3-yl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 115799285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).