N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine

C13H14N2O — CID 115865971

IUPACN-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NC/C=C/c2ccco2)nc1
InChIInChI=1S/C13H14N2O/c1-11-6-7-13(15-10-11)14-8-2-4-12-5-3-9-16-12/h2-7,9-10H,8H2,1H3,(H,14,15)/b4-2+
InChIKeyASPZDPCKYCBLCO-DUXPYHPUSA-N
MW214.27 g/mol
LogP3.11
Rot. Bonds4

About N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine

N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine (PubChem CID 115865971) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine
PubChem CID115865971
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NC/C=C/c2ccco2)nc1
InChIInChI=1S/C13H14N2O/c1-11-6-7-13(15-10-11)14-8-2-4-12-5-3-9-16-12/h2-7,9-10H,8H2,1H3,(H,14,15)/b4-2+
InChIKeyASPZDPCKYCBLCO-DUXPYHPUSA-N
XLogP3.11
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine?
The IUPAC name of N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine (CID 115865971) is N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine is Cc1ccc(NC/C=C/c2ccco2)nc1.
What is the InChIKey of N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine?
The InChIKey is ASPZDPCKYCBLCO-DUXPYHPUSA-N. The full InChI is InChI=1S/C13H14N2O/c1-11-6-7-13(15-10-11)14-8-2-4-12-5-3-9-16-12/h2-7,9-10H,8H2,1H3,(H,14,15)/b4-2+.
What are the key properties of N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine?
N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(furan-2-yl)prop-2-enyl]-5-methylpyridin-2-amine is sourced from PubChem (CID 115865971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).