1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde

C18H19FN4O3 — CID 155581782

IUPAC1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde
SMILESCCC1C(COc2nccc3cc(C=O)nc(/C=C\N)c23)NC(=O)C1F
InChIInChI=1S/C18H19FN4O3/c1-2-12-14(23-17(25)16(12)19)9-26-18-15-10(4-6-21-18)7-11(8-24)22-13(15)3-5-20/h3-8,12,14,16H,2,9,20H2,1H3,(H,23,25)/b5-3-
InChIKeyNNFAKNLZXWESKX-HYXAFXHYSA-N
MW358.37 g/mol
LogP1.61
Rot. Bonds6

About 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde

1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde (PubChem CID 155581782) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde
PubChem CID155581782
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde
SMILESCCC1C(COc2nccc3cc(C=O)nc(/C=C\N)c23)NC(=O)C1F
InChIInChI=1S/C18H19FN4O3/c1-2-12-14(23-17(25)16(12)19)9-26-18-15-10(4-6-21-18)7-11(8-24)22-13(15)3-5-20/h3-8,12,14,16H,2,9,20H2,1H3,(H,23,25)/b5-3-
InChIKeyNNFAKNLZXWESKX-HYXAFXHYSA-N
XLogP1.61
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde?
The IUPAC name of 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde (CID 155581782) is 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde.
What is the SMILES notation for 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde?
The canonical SMILES for 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde is CCC1C(COc2nccc3cc(C=O)nc(/C=C\N)c23)NC(=O)C1F.
What is the InChIKey of 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde?
The InChIKey is NNFAKNLZXWESKX-HYXAFXHYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-2-12-14(23-17(25)16(12)19)9-26-18-15-10(4-6-21-18)7-11(8-24)22-13(15)3-5-20/h3-8,12,14,16H,2,9,20H2,1H3,(H,23,25)/b5-3-.
What are the key properties of 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde?
1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde has a molecular weight of 358.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-aminoethenyl]-8-[(3-ethyl-4-fluoro-5-oxopyrrolidin-2-yl)methoxy]-2,7-naphthyridine-3-carbaldehyde is sourced from PubChem (CID 155581782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).