6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid

C21H25N3O7 — CID 118252899

IUPAC6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)ccc1NC(=O)c1coc2c1C(=O)N(CCOC)C(C)(C)C2
InChIInChI=1S/C21H25N3O7/c1-5-30-18-13(6-7-14(23-18)20(27)28)22-17(25)12-11-31-15-10-21(2,3)24(8-9-29-4)19(26)16(12)15/h6-7,11H,5,8-10H2,1-4H3,(H,22,25)(H,27,28)
InChIKeyJYDUWDRHKRYRIT-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.45
Rot. Bonds8

About 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid

6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid (PubChem CID 118252899) has the molecular formula C21H25N3O7 and a molecular weight of 431.45 g/mol. Its IUPAC name is 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
PubChem CID118252899
Molecular FormulaC21H25N3O7
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Name6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid
SMILESCCOc1nc(C(=O)O)ccc1NC(=O)c1coc2c1C(=O)N(CCOC)C(C)(C)C2
InChIInChI=1S/C21H25N3O7/c1-5-30-18-13(6-7-14(23-18)20(27)28)22-17(25)12-11-31-15-10-21(2,3)24(8-9-29-4)19(26)16(12)15/h6-7,11H,5,8-10H2,1-4H3,(H,22,25)(H,27,28)
InChIKeyJYDUWDRHKRYRIT-UHFFFAOYSA-N
XLogP2.45
TPSA131.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide
CID 118252970
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5-prop-2-enyl-7H-furo[3,2-c]pyridine-3-carboxamide
CID 118252832
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide
CID 118252897
N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118253020
N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118253120
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-(4-hydroxybutyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252916
N-[6-(4-acetylpiperazin-1-yl)-2-(2-methoxyethoxy)-3-pyridinyl]-5-(2-hydroxyethyl)-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252968
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118253072
4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
CID 118256470
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252831
N-[6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-yl]-2-(2-hydroxy-2-methylpropoxy)-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118253171
N-(2-methoxy-6-piperazin-1-yl-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252773

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid (CID 118252899) is 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid is CCOc1nc(C(=O)O)ccc1NC(=O)c1coc2c1C(=O)N(CCOC)C(C)(C)C2.
What is the InChIKey of 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
The InChIKey is JYDUWDRHKRYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7/c1-5-30-18-13(6-7-14(23-18)20(27)28)22-17(25)12-11-31-15-10-21(2,3)24(8-9-29-4)19(26)16(12)15/h6-7,11H,5,8-10H2,1-4H3,(H,22,25)(H,27,28).
What are the key properties of 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid?
6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid has a molecular weight of 431.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-5-[[5-(2-methoxyethyl)-6,6-dimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carbonyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 118252899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).