N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine

C15H16N4O — CID 43748655

IUPACN-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1ccc(CNc2ccc(-n3ccnc3C)nc2)o1
InChIInChI=1S/C15H16N4O/c1-11-3-5-14(20-11)10-17-13-4-6-15(18-9-13)19-8-7-16-12(19)2/h3-9,17H,10H2,1-2H3
InChIKeyZWLSITJQAJVRFE-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.09
Rot. Bonds4

About N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine

N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 43748655) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID43748655
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCc1ccc(CNc2ccc(-n3ccnc3C)nc2)o1
InChIInChI=1S/C15H16N4O/c1-11-3-5-14(20-11)10-17-13-4-6-15(18-9-13)19-8-7-16-12(19)2/h3-9,17H,10H2,1-2H3
InChIKeyZWLSITJQAJVRFE-UHFFFAOYSA-N
XLogP3.09
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine (CID 43748655) is N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine is Cc1ccc(CNc2ccc(-n3ccnc3C)nc2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is ZWLSITJQAJVRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-11-3-5-14(20-11)10-17-13-4-6-15(18-9-13)19-8-7-16-12(19)2/h3-9,17H,10H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine?
N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 268.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-6-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 43748655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).