(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine

C16H24FN5 — CID 176539404

IUPAC(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
SMILESC=C(C)/C=C(\C=NCNF)CN/C=C1/C(CC)=NC=CC1N
InChIInChI=1S/C16H24FN5/c1-4-16-14(15(18)5-6-21-16)10-19-8-13(7-12(2)3)9-20-11-22-17/h5-7,9-10,15,19,22H,2,4,8,11,18H2,1,3H3/b13-7-,14-10+,20-9?
InChIKeyINPXHLGGDSNVBY-XQWRPTBISA-N
MW305.40 g/mol
LogP2.17
Rot. Bonds8

About (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine

(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine (PubChem CID 176539404) has the molecular formula C16H24FN5 and a molecular weight of 305.40 g/mol. Its IUPAC name is (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine.

Molecular Properties

Compound Name(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
PubChem CID176539404
Molecular FormulaC16H24FN5
Molecular Weight305.40 g/mol
Exact Mass305.20
IUPAC Name(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine
SMILESC=C(C)/C=C(\C=NCNF)CN/C=C1/C(CC)=NC=CC1N
InChIInChI=1S/C16H24FN5/c1-4-16-14(15(18)5-6-21-16)10-19-8-13(7-12(2)3)9-20-11-22-17/h5-7,9-10,15,19,22H,2,4,8,11,18H2,1,3H3/b13-7-,14-10+,20-9?
InChIKeyINPXHLGGDSNVBY-XQWRPTBISA-N
XLogP2.17
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine?
The IUPAC name of (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine (CID 176539404) is (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine.
What is the SMILES notation for (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine?
The canonical SMILES for (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine is C=C(C)/C=C(\C=NCNF)CN/C=C1/C(CC)=NC=CC1N.
What is the InChIKey of (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine?
The InChIKey is INPXHLGGDSNVBY-XQWRPTBISA-N. The full InChI is InChI=1S/C16H24FN5/c1-4-16-14(15(18)5-6-21-16)10-19-8-13(7-12(2)3)9-20-11-22-17/h5-7,9-10,15,19,22H,2,4,8,11,18H2,1,3H3/b13-7-,14-10+,20-9?.
What are the key properties of (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine?
(3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-ethyl-3-[[[(2Z)-2-[(fluoroamino)methyliminomethyl]-4-methylpenta-2,4-dienyl]amino]methylidene]-4H-pyridin-4-amine is sourced from PubChem (CID 176539404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).