N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide

C19H19N3O3 — CID 166422239

IUPACN-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1C(=O)N1CCc2cc[nH]c(=O)c2C1
InChIInChI=1S/C19H19N3O3/c1-2-17(23)21-11-14-5-3-4-6-15(14)19(25)22-10-8-13-7-9-20-18(24)16(13)12-22/h2-7,9H,1,8,10-12H2,(H,20,24)(H,21,23)
InChIKeyRMLGZTAGENMSOX-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.38
Rot. Bonds4

About N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide

N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide (PubChem CID 166422239) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide
PubChem CID166422239
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccccc1C(=O)N1CCc2cc[nH]c(=O)c2C1
InChIInChI=1S/C19H19N3O3/c1-2-17(23)21-11-14-5-3-4-6-15(14)19(25)22-10-8-13-7-9-20-18(24)16(13)12-22/h2-7,9H,1,8,10-12H2,(H,20,24)(H,21,23)
InChIKeyRMLGZTAGENMSOX-UHFFFAOYSA-N
XLogP1.38
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide (CID 166422239) is N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccccc1C(=O)N1CCc2cc[nH]c(=O)c2C1.
What is the InChIKey of N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide?
The InChIKey is RMLGZTAGENMSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-17(23)21-11-14-5-3-4-6-15(14)19(25)22-10-8-13-7-9-20-18(24)16(13)12-22/h2-7,9H,1,8,10-12H2,(H,20,24)(H,21,23).
What are the key properties of N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide?
N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(8-oxo-1,3,4,7-tetrahydro-2,7-naphthyridine-2-carbonyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 166422239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).