3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine

C17H19FN6 — CID 134187928

IUPAC3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine
SMILESC=C/C=N\N(C)c1cccc(Nc2nc(N)c(F)cc2C(=C)N)c1
InChIInChI=1S/C17H19FN6/c1-4-8-21-24(3)13-7-5-6-12(9-13)22-17-14(11(2)19)10-15(18)16(20)23-17/h4-10H,1-2,19H2,3H3,(H3,20,22,23)/b21-8-
InChIKeyAFWXBLIHTXYPOX-WNFQYIGGSA-N
MW326.38 g/mol
LogP3.08
Rot. Bonds6

About 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine

3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine (PubChem CID 134187928) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine
PubChem CID134187928
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine
SMILESC=C/C=N\N(C)c1cccc(Nc2nc(N)c(F)cc2C(=C)N)c1
InChIInChI=1S/C17H19FN6/c1-4-8-21-24(3)13-7-5-6-12(9-13)22-17-14(11(2)19)10-15(18)16(20)23-17/h4-10H,1-2,19H2,3H3,(H3,20,22,23)/b21-8-
InChIKeyAFWXBLIHTXYPOX-WNFQYIGGSA-N
XLogP3.08
TPSA92.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N~2~-benzyl-N~4~-(3-fluorophenyl)-6-methyl-2,4-pyrimidinediamine
CID 697239
N-benzyl-4-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-2-amine
CID 9629464
N-benzyl-4-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-2-amine
CID 9631618
4-(Dimethylamino)-2-(4-fluoroanilino)nicotinonitrile
CID 1470929
2-N-benzyl-4-N-(4-fluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112915709
2-(5-Methyl-2-pyridinyl)-1-phenylguanidine;hydrochloride
CID 118730501
5-fluoro-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-N-[3-(4-methylpyrazol-1-yl)phenyl]pyrimidine-2,4-diamine
CID 122180040
N-benzyl-4-[(2E)-2-(3-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-2-amine
CID 9620528
US10647686, Example (28)
CID 134511922
5-methyl-N-phenylpyridin-2-amine
CID 12888062
N-(4-fluorophenyl)-4-methyl-1,2,3,5-tetrahydropyrido[4,3-e][1,4]diazepin-8-amine
CID 134807485
3-Pyridinecarboximidic acid, 2-(phenylamino)-, hydrazide
CID 9588332

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine?
The IUPAC name of 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine (CID 134187928) is 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine.
What is the SMILES notation for 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine?
The canonical SMILES for 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine is C=C/C=N\N(C)c1cccc(Nc2nc(N)c(F)cc2C(=C)N)c1.
What is the InChIKey of 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine?
The InChIKey is AFWXBLIHTXYPOX-WNFQYIGGSA-N. The full InChI is InChI=1S/C17H19FN6/c1-4-8-21-24(3)13-7-5-6-12(9-13)22-17-14(11(2)19)10-15(18)16(20)23-17/h4-10H,1-2,19H2,3H3,(H3,20,22,23)/b21-8-.
What are the key properties of 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine?
3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine has a molecular weight of 326.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethenyl)-5-fluoro-2-N-[3-[methyl-[(Z)-prop-2-enylideneamino]amino]phenyl]pyridine-2,6-diamine is sourced from PubChem (CID 134187928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).