2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine

C22H28N4O4 — CID 158746441

IUPAC2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine
SMILESCOC(C)C(C)=O.COC(C)c1ccc2cccnc2n1.Nc1ncccc1C=O
InChIInChI=1S/C11H12N2O.C6H6N2O.C5H10O2/c1-8(14-2)10-6-5-9-4-3-7-12-11(9)13-10;7-6-5(4-9)2-1-3-8-6;1-4(6)5(2)7-3/h3-8H,1-2H3;1-4H,(H2,7,8);5H,1-3H3
InChIKeyIMYGXFLIGFIIRC-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.42
Rot. Bonds5

About 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine

2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine (PubChem CID 158746441) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine
PubChem CID158746441
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine
SMILESCOC(C)C(C)=O.COC(C)c1ccc2cccnc2n1.Nc1ncccc1C=O
InChIInChI=1S/C11H12N2O.C6H6N2O.C5H10O2/c1-8(14-2)10-6-5-9-4-3-7-12-11(9)13-10;7-6-5(4-9)2-1-3-8-6;1-4(6)5(2)7-3/h3-8H,1-2H3;1-4H,(H2,7,8);5H,1-3H3
InChIKeyIMYGXFLIGFIIRC-UHFFFAOYSA-N
XLogP3.42
TPSA117.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(6-Methylpyrimidin-4-yl)morpholin-2-yl]pyridine-3-carboxamide
CID 110271969
Ethyl 2-phenyl-1,8-naphthyridine-3-carboxylate
CID 11196701
Ethyl 7-methyl-4-morpholin-4-yl-1,8-naphthyridine-3-carboxylate
CID 10017740
1-[4-[[2-(2-Methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
CID 57561122
1-[6-[[2-(1-Methoxyethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]-1,8-naphthyridin-4-yl]amino]pyridin-3-yl]ethanone
CID 57561174
5-fluoro-N-[5-[1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 123273748
2-[6-Fluoro-2-(methoxymethyl)-1,8-naphthyridine-3-carbonyl]cyclohexane-1,3-dione
CID 141247225
5-fluoro-N-[5-[(Z)-1-[6-(methoxymethyl)-3-pyridinyl]prop-1-enyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 144470745
Dimethyl 1,8-naphthyridine-2,6-dicarboxylate
CID 44126891
Di-2-(pyridyl)methyl 1,8-naphthyridine-2,7-dicarboxylate
CID 168340350
6-O-ethyl 2-O-methyl 1,8-naphthyridine-2,6-dicarboxylate
CID 176424529
(6-Phenyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 46908486

Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine (CID 158746441) is 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine is COC(C)C(C)=O.COC(C)c1ccc2cccnc2n1.Nc1ncccc1C=O.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine?
The InChIKey is IMYGXFLIGFIIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C6H6N2O.C5H10O2/c1-8(14-2)10-6-5-9-4-3-7-12-11(9)13-10;7-6-5(4-9)2-1-3-8-6;1-4(6)5(2)7-3/h3-8H,1-2H3;1-4H,(H2,7,8);5H,1-3H3.
What are the key properties of 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine?
2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine has a molecular weight of 412.49 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;3-methoxybutan-2-one;2-(1-methoxyethyl)-1,8-naphthyridine is sourced from PubChem (CID 158746441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).