5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine

C14H19FN4 — CID 138718912

IUPAC5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine
SMILESNCC1=CC(C=CC2=CC=CC(N)C2F)=CNC1N
InChIInChI=1S/C14H19FN4/c15-13-10(2-1-3-12(13)17)5-4-9-6-11(7-16)14(18)19-8-9/h1-6,8,12-14,19H,7,16-18H2
InChIKeyQNMZXEQFHYQZRL-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.36
Rot. Bonds3

About 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine

5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine (PubChem CID 138718912) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine.

Molecular Properties

Compound Name5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine
PubChem CID138718912
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine
SMILESNCC1=CC(C=CC2=CC=CC(N)C2F)=CNC1N
InChIInChI=1S/C14H19FN4/c15-13-10(2-1-3-12(13)17)5-4-9-6-11(7-16)14(18)19-8-9/h1-6,8,12-14,19H,7,16-18H2
InChIKeyQNMZXEQFHYQZRL-UHFFFAOYSA-N
XLogP0.36
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334
2-ethyl-3-(1-fluoroethyl)-5-[(E)-prop-1-enyl]-1,2-dihydropyridine
CID 134448196
5-Fluoro-2-(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyridine
CID 141810236
1-(6-fluoro-2-methyl-1,2-dihydropyridin-5-yl)-N'-[(Z)-2-methylbut-1-enyl]methanediamine
CID 141810241
(1E,3Z)-4-(aminomethyl)-5-N'-(1-aminopropan-2-yl)-2-fluorohepta-1,3-diene-1,5,5-triamine
CID 156372369
2-[(2E,4Z)-2-fluorohepta-2,4-dienyl]-3-methyl-1,2-dihydropyridin-6-amine
CID 169149259
(Z)-1-fluoro-2-[2-[(3E)-6-methylhepta-3,5-dien-3-yl]-1,2-dihydropyridin-5-yl]-N-propan-2-ylprop-1-en-1-amine
CID 141810229
1,5,6,8a-Tetrahydro-1,6-naphthyridin-5-amine
CID 126691479
1-N'-methyl-1-N'-[(E)-2-(5-methyl-1,2-dihydropyridin-2-yl)but-1-enyl]ethane-1,1-diamine
CID 141803625
ethane;(Z)-1-fluoro-2-[2-[(3E)-6-methylhepta-3,5-dien-3-yl]-1,2-dihydropyridin-5-yl]-N-propan-2-ylprop-1-en-1-amine;6-fluoro-2-methyl-5-(2-methyl-1,2-dihydropyridin-5-yl)-1,2-dihydropyridine
CID 141810227
1-N-[3-(diaminomethyl)-6-methyl-1,8a-dihydroquinolin-2-yl]pentane-1,3-diamine
CID 144575891

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine?
The IUPAC name of 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine (CID 138718912) is 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine.
What is the SMILES notation for 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine?
The canonical SMILES for 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine is NCC1=CC(C=CC2=CC=CC(N)C2F)=CNC1N.
What is the InChIKey of 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine?
The InChIKey is QNMZXEQFHYQZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c15-13-10(2-1-3-12(13)17)5-4-9-6-11(7-16)14(18)19-8-9/h1-6,8,12-14,19H,7,16-18H2.
What are the key properties of 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine?
5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine has a molecular weight of 262.33 g/mol, XLogP of 0.36, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-amino-6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-3-(aminomethyl)-1,2-dihydropyridin-2-amine is sourced from PubChem (CID 138718912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).