(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide

C27H34N4O3 — CID 177234413

IUPAC(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide
SMILESC/C=C(\C=C(C)/C(=C/CC)C(=O)NC)C1=CCN(Cc2cnc3cc(CC)c(=O)[nH]c3c2)OC1
InChIInChI=1S/C27H34N4O3/c1-6-9-23(27(33)28-5)18(4)12-20(7-2)22-10-11-31(34-17-22)16-19-13-25-24(29-15-19)14-21(8-3)26(32)30-25/h7,9-10,12-15H,6,8,11,16-17H2,1-5H3,(H,28,33)(H,30,32)/b18-12-,20-7+,23-9-
InChIKeyNVYKSZAIXFJIMG-VUPVVGTNSA-N
MW462.59 g/mol
LogP4.13
Rot. Bonds8

About (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide

(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide (PubChem CID 177234413) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide.

Molecular Properties

Compound Name(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide
PubChem CID177234413
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide
SMILESC/C=C(\C=C(C)/C(=C/CC)C(=O)NC)C1=CCN(Cc2cnc3cc(CC)c(=O)[nH]c3c2)OC1
InChIInChI=1S/C27H34N4O3/c1-6-9-23(27(33)28-5)18(4)12-20(7-2)22-10-11-31(34-17-22)16-19-13-25-24(29-15-19)14-21(8-3)26(32)30-25/h7,9-10,12-15H,6,8,11,16-17H2,1-5H3,(H,28,33)(H,30,32)/b18-12-,20-7+,23-9-
InChIKeyNVYKSZAIXFJIMG-VUPVVGTNSA-N
XLogP4.13
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide with MolForge

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Related Compounds

4-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-3-fluoro-N-methylbenzamide
CID 177234462
(2Z,4E)-2,5-diamino-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpenta-2,4-dienamide
CID 174200353
(Z)-2-[[(Z)-1-[2-[(2-ethyl-5-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]prop-1-enyl]iminomethyl]-N-methylpent-2-enamide
CID 177234577
(2Z,3Z,5Z)-6-fluoro-N-methyl-5-[2-[(3-methyl-2-oxo-1H-pyrido[3,4-b][1,4]oxazin-7-yl)methyl]-3,6-dihydrooxazin-5-yl]-2-propylidenehepta-3,5-dienamide
CID 177234578
5-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2,5-dihydropyrrol-3-yl]-N-methylpyridine-2-carboxamide
CID 171487947
7-acetyl-3-ethyl-1H-1,5-naphthyridin-2-one
CID 166021931
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
5-[(E)-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylpyrrolidin-3-ylidene]methyl]-N-methylpyridine-2-carboxamide
CID 178063358
5-[2-[(2-ethyl-7-fluoro-3-oxo-4H-quinoxalin-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,4-dimethylpyridine-2-carboxamide
CID 177234615
ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 166088880

Frequently Asked Questions

What is the IUPAC name of (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide?
The IUPAC name of (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide (CID 177234413) is (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide.
What is the SMILES notation for (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide?
The canonical SMILES for (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide is C/C=C(\C=C(C)/C(=C/CC)C(=O)NC)C1=CCN(Cc2cnc3cc(CC)c(=O)[nH]c3c2)OC1.
What is the InChIKey of (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide?
The InChIKey is NVYKSZAIXFJIMG-VUPVVGTNSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-6-9-23(27(33)28-5)18(4)12-20(7-2)22-10-11-31(34-17-22)16-19-13-25-24(29-15-19)14-21(8-3)26(32)30-25/h7,9-10,12-15H,6,8,11,16-17H2,1-5H3,(H,28,33)(H,30,32)/b18-12-,20-7+,23-9-.
What are the key properties of (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide?
(2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide has a molecular weight of 462.59 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z,5E)-5-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,6-dihydrooxazin-5-yl]-N,3-dimethyl-2-propylidenehepta-3,5-dienamide is sourced from PubChem (CID 177234413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).