1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one

C22H26N4OSi — CID 123464495

IUPAC1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(C#CC[Si](C)(C)C)cc2cnc(Nc3ccc(C)cn3)cc21
InChIInChI=1S/C22H26N4OSi/c1-6-26-19-13-21(25-20-10-9-16(2)14-23-20)24-15-18(19)12-17(22(26)27)8-7-11-28(3,4)5/h9-10,12-15H,6,11H2,1-5H3,(H,23,24,25)
InChIKeyPEXLFWSWVAXCJD-UHFFFAOYSA-N
MW390.56 g/mol
LogP4.55
Rot. Bonds4

About 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one

1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one (PubChem CID 123464495) has the molecular formula C22H26N4OSi and a molecular weight of 390.56 g/mol. Its IUPAC name is 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one
PubChem CID123464495
Molecular FormulaC22H26N4OSi
Molecular Weight390.56 g/mol
Exact Mass390.19
IUPAC Name1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one
SMILESCCn1c(=O)c(C#CC[Si](C)(C)C)cc2cnc(Nc3ccc(C)cn3)cc21
InChIInChI=1S/C22H26N4OSi/c1-6-26-19-13-21(25-20-10-9-16(2)14-23-20)24-15-18(19)12-17(22(26)27)8-7-11-28(3,4)5/h9-10,12-15H,6,11H2,1-5H3,(H,23,24,25)
InChIKeyPEXLFWSWVAXCJD-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-(3,3-dimethylbut-1-ynyl)-1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400001
3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
CID 118400003
ethyl (E)-3-[1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-2-oxo-1,6-naphthyridin-3-yl]prop-2-enoate;1-ethyl-3-iodo-7-[(5-methyl-2-pyridinyl)amino]-1,6-naphthyridin-2-one;ethyl prop-2-enoate
CID 159090831
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-3-(2-fluoro-4-methylphenyl)-1,6-naphthyridin-2-one
CID 122691284
1-ethyl-7-[[5-(3-hydroxypropyl)-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one
CID 159307659
7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-(2,6-difluorophenyl)-1-ethyl-1,6-naphthyridin-2-one
CID 118400017
1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
CID 123476129
3-(3-chloro-2,6-difluorophenyl)-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-ethyl-1,6-naphthyridin-2-one
CID 118400021
6-methyl-N-(5-methyl-2-pyridinyl)pyrimidin-4-amine
CID 134160674
3-(2-chlorophenyl)-1-ethyl-7-(methylamino)-1,6-naphthyridin-2-one
CID 141205535
1-ethyl-7-[[1-(2-methoxyethyl)imidazol-4-yl]amino]-3-phenyl-1,6-naphthyridin-2-one
CID 118271170
3-(2,6-difluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1-(2-hydroxyethyl)-1,6-naphthyridin-2-one
CID 118400038

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one?
The IUPAC name of 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one (CID 123464495) is 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one?
The canonical SMILES for 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one is CCn1c(=O)c(C#CC[Si](C)(C)C)cc2cnc(Nc3ccc(C)cn3)cc21.
What is the InChIKey of 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one?
The InChIKey is PEXLFWSWVAXCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OSi/c1-6-26-19-13-21(25-20-10-9-16(2)14-23-20)24-15-18(19)12-17(22(26)27)8-7-11-28(3,4)5/h9-10,12-15H,6,11H2,1-5H3,(H,23,24,25).
What are the key properties of 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one?
1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one has a molecular weight of 390.56 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-[(5-methyl-2-pyridinyl)amino]-3-(3-trimethylsilylprop-1-ynyl)-1,6-naphthyridin-2-one is sourced from PubChem (CID 123464495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).