5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine

C17H14FN3 — CID 130223144

IUPAC5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine
SMILESC=C(C#Cc1ccccn1)/C=C\N(C)c1ccc(F)cn1
InChIInChI=1S/C17H14FN3/c1-14(6-8-16-5-3-4-11-19-16)10-12-21(2)17-9-7-15(18)13-20-17/h3-5,7,9-13H,1H2,2H3/b12-10-
InChIKeyRLDMHHUTHKDQMR-BENRWUELSA-N
MW279.32 g/mol
LogP3.17
Rot. Bonds3

About 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine

5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine (PubChem CID 130223144) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine
PubChem CID130223144
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Name5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine
SMILESC=C(C#Cc1ccccn1)/C=C\N(C)c1ccc(F)cn1
InChIInChI=1S/C17H14FN3/c1-14(6-8-16-5-3-4-11-19-16)10-12-21(2)17-9-7-15(18)13-20-17/h3-5,7,9-13H,1H2,2H3/b12-10-
InChIKeyRLDMHHUTHKDQMR-BENRWUELSA-N
XLogP3.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine (CID 130223144) is 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine is C=C(C#Cc1ccccn1)/C=C\N(C)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine?
The InChIKey is RLDMHHUTHKDQMR-BENRWUELSA-N. The full InChI is InChI=1S/C17H14FN3/c1-14(6-8-16-5-3-4-11-19-16)10-12-21(2)17-9-7-15(18)13-20-17/h3-5,7,9-13H,1H2,2H3/b12-10-.
What are the key properties of 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine?
5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine has a molecular weight of 279.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-N-[(Z)-3-methylidene-5-pyridin-2-ylpent-1-en-4-ynyl]pyridin-2-amine is sourced from PubChem (CID 130223144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).