4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid

C20H23N5O6 — CID 118256470

IUPAC4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCCOc1nc(N2CCN(C(=O)O)CC2)ccc1NC(=O)c1coc2c1C(=O)NCC2
InChIInChI=1S/C20H23N5O6/c1-2-30-19-13(3-4-15(23-19)24-7-9-25(10-8-24)20(28)29)22-17(26)12-11-31-14-5-6-21-18(27)16(12)14/h3-4,11H,2,5-10H2,1H3,(H,21,27)(H,22,26)(H,28,29)
InChIKeyQCGITEBUIDYHSG-UHFFFAOYSA-N
MW429.43 g/mol
LogP1.41
Rot. Bonds5

About 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid

4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 118256470) has the molecular formula C20H23N5O6 and a molecular weight of 429.43 g/mol. Its IUPAC name is 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID118256470
Molecular FormulaC20H23N5O6
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCCOc1nc(N2CCN(C(=O)O)CC2)ccc1NC(=O)c1coc2c1C(=O)NCC2
InChIInChI=1S/C20H23N5O6/c1-2-30-19-13(3-4-15(23-19)24-7-9-25(10-8-24)20(28)29)22-17(26)12-11-31-14-5-6-21-18(27)16(12)14/h3-4,11H,2,5-10H2,1H3,(H,21,27)(H,22,26)(H,28,29)
InChIKeyQCGITEBUIDYHSG-UHFFFAOYSA-N
XLogP1.41
TPSA137.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

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-ethoxy-3-pyridinyl]-5-[(2S)-1-hydroxypropan-2-yl]-4-oxo-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252831
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
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-(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-(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]-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]-6,6-dimethyl-4-oxo-5-(2-phenylmethoxyethyl)-7H-furo[3,2-c]pyridine-3-carboxamide
CID 118252970
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
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
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 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) is 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid is CCOc1nc(N2CCN(C(=O)O)CC2)ccc1NC(=O)c1coc2c1C(=O)NCC2.
What is the InChIKey of 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is QCGITEBUIDYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O6/c1-2-30-19-13(3-4-15(23-19)24-7-9-25(10-8-24)20(28)29)22-17(26)12-11-31-14-5-6-21-18(27)16(12)14/h3-4,11H,2,5-10H2,1H3,(H,21,27)(H,22,26)(H,28,29).
What are the key properties of 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 429.43 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-ethoxy-5-[(4-oxo-6,7-dihydro-5H-furo[3,2-c]pyridine-3-carbonyl)amino]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 118256470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).