2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane

C43H55N7O6 — CID 144695688

IUPAC2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane
SMILESCC.CCN(CC)C(C)=O.Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C35H36N6O5.C6H13NO.C2H6/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40;1-4-7(5-2)6(3)8;1-2/h5-9,16-21H,10-15H2,1-4H3,(H,37,38);4-5H2,1-3H3;1-2H3
InChIKeyLEVNZFFARTTXQF-UHFFFAOYSA-N
MW765.96 g/mol
LogP6.27
Rot. Bonds8

About 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane

2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane (PubChem CID 144695688) has the molecular formula C43H55N7O6 and a molecular weight of 765.96 g/mol. Its IUPAC name is 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane.

Molecular Properties

Compound Name2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane
PubChem CID144695688
Molecular FormulaC43H55N7O6
Molecular Weight765.96 g/mol
Exact Mass765.42
IUPAC Name2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane
SMILESCC.CCN(CC)C(C)=O.Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O
InChIInChI=1S/C35H36N6O5.C6H13NO.C2H6/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40;1-4-7(5-2)6(3)8;1-2/h5-9,16-21H,10-15H2,1-4H3,(H,37,38);4-5H2,1-3H3;1-2H3
InChIKeyLEVNZFFARTTXQF-UHFFFAOYSA-N
XLogP6.27
TPSA147.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane with MolForge

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Related Compounds

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CID 11852095
6-(Dimethylamino)-2-[2-(Hydroxymethyl)-3-(1-Methyl-5-{[5-(Morpholin-4-Ylcarbonyl)pyridin-2-Yl]amino}-6-Oxo-1,6-Dihydropyridin-3-Yl)phenyl]-3,4-Dihydroisoquinolin-1(2h)-One
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4-tert-butyl-N-[2-methyl-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]benzamide
CID 46894109
4-tert-butyl-N-[2-methyl-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]benzamide
CID 24901165
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CID 44182938
N-[3-[4,5-Dihydro-4-methyl-6-[[4-(4-morpholinylcarbonyl)phenyl]amino]-5-oxo-2-pyrazinyl]-2-methylphenyl]-5-(1,1-dimethylethyl)-2-pyrimidinecarboxamide
CID 58729072
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Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane?
The IUPAC name of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane (CID 144695688) is 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane.
What is the SMILES notation for 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane?
The canonical SMILES for 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane is CC.CCN(CC)C(C)=O.Cn1cc(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2C=O)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O.
What is the InChIKey of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane?
The InChIKey is LEVNZFFARTTXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O5.C6H13NO.C2H6/c1-35(2,3)30-17-22-10-11-41(33(44)26(22)19-36-30)29-7-5-6-25(27(29)21-42)24-16-28(34(45)39(4)20-24)38-31-9-8-23(18-37-31)32(43)40-12-14-46-15-13-40;1-4-7(5-2)6(3)8;1-2/h5-9,16-21H,10-15H2,1-4H3,(H,37,38);4-5H2,1-3H3;1-2H3.
What are the key properties of 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane?
2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane has a molecular weight of 765.96 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-tert-butyl-1-oxo-3,4-dihydro-2,7-naphthyridin-2-yl)-6-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]benzaldehyde;N,N-diethylacetamide;ethane is sourced from PubChem (CID 144695688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).