3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde

C18H23N3O3 — CID 142284773

IUPAC3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde
SMILESC=C(C)N1CCCc2cc(CN3CCC(OC)C3=O)c(C=O)nc21
InChIInChI=1S/C18H23N3O3/c1-12(2)21-7-4-5-13-9-14(15(11-22)19-17(13)21)10-20-8-6-16(24-3)18(20)23/h9,11,16H,1,4-8,10H2,2-3H3
InChIKeyFPKLGAKPCWLYTC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds5

About 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde

3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde (PubChem CID 142284773) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde
PubChem CID142284773
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde
SMILESC=C(C)N1CCCc2cc(CN3CCC(OC)C3=O)c(C=O)nc21
InChIInChI=1S/C18H23N3O3/c1-12(2)21-7-4-5-13-9-14(15(11-22)19-17(13)21)10-20-8-6-16(24-3)18(20)23/h9,11,16H,1,4-8,10H2,2-3H3
InChIKeyFPKLGAKPCWLYTC-UHFFFAOYSA-N
XLogP1.93
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde?
The IUPAC name of 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde (CID 142284773) is 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde?
The canonical SMILES for 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde is C=C(C)N1CCCc2cc(CN3CCC(OC)C3=O)c(C=O)nc21.
What is the InChIKey of 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde?
The InChIKey is FPKLGAKPCWLYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(2)21-7-4-5-13-9-14(15(11-22)19-17(13)21)10-20-8-6-16(24-3)18(20)23/h9,11,16H,1,4-8,10H2,2-3H3.
What are the key properties of 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde?
3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde has a molecular weight of 329.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-oxopyrrolidin-1-yl)methyl]-8-prop-1-en-2-yl-6,7-dihydro-5H-1,8-naphthyridine-2-carbaldehyde is sourced from PubChem (CID 142284773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).