(E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine

C20H25FN4 — CID 174289498

IUPAC(E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine
SMILESC/C(=C\N(C)C(C)c1ccc(N2CCCC2)nc1)c1ccc(F)nc1
InChIInChI=1S/C20H25FN4/c1-15(17-6-8-19(21)22-12-17)14-24(3)16(2)18-7-9-20(23-13-18)25-10-4-5-11-25/h6-9,12-14,16H,4-5,10-11H2,1-3H3/b15-14+
InChIKeyYUVBPABRDNDFRL-CCEZHUSRSA-N
MW340.45 g/mol
LogP4.27
Rot. Bonds5

About (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine

(E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine (PubChem CID 174289498) has the molecular formula C20H25FN4 and a molecular weight of 340.45 g/mol. Its IUPAC name is (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine
PubChem CID174289498
Molecular FormulaC20H25FN4
Molecular Weight340.45 g/mol
Exact Mass340.21
IUPAC Name(E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine
SMILESC/C(=C\N(C)C(C)c1ccc(N2CCCC2)nc1)c1ccc(F)nc1
InChIInChI=1S/C20H25FN4/c1-15(17-6-8-19(21)22-12-17)14-24(3)16(2)18-7-9-20(23-13-18)25-10-4-5-11-25/h6-9,12-14,16H,4-5,10-11H2,1-3H3/b15-14+
InChIKeyYUVBPABRDNDFRL-CCEZHUSRSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine?
The IUPAC name of (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine (CID 174289498) is (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine.
What is the SMILES notation for (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine?
The canonical SMILES for (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine is C/C(=C\N(C)C(C)c1ccc(N2CCCC2)nc1)c1ccc(F)nc1.
What is the InChIKey of (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine?
The InChIKey is YUVBPABRDNDFRL-CCEZHUSRSA-N. The full InChI is InChI=1S/C20H25FN4/c1-15(17-6-8-19(21)22-12-17)14-24(3)16(2)18-7-9-20(23-13-18)25-10-4-5-11-25/h6-9,12-14,16H,4-5,10-11H2,1-3H3/b15-14+.
What are the key properties of (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine?
(E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine has a molecular weight of 340.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(6-fluoro-3-pyridinyl)-N-methyl-N-[1-(6-pyrrolidin-1-yl-3-pyridinyl)ethyl]prop-1-en-1-amine is sourced from PubChem (CID 174289498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).