N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide

C24H31N5O5 — CID 118252897

IUPACN-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide
SMILESCCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(C)C(C)(C)C2
InChIInChI=1S/C24H31N5O5/c1-6-33-22-17(7-8-19(26-22)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(3,4)27(5)23(32)20(16)18/h7-8,14H,6,9-13H2,1-5H3,(H,25,31)
InChIKeyXYHZHWGJEUKZIR-UHFFFAOYSA-N
MW469.54 g/mol
LogP2.40
Rot. Bonds5

About N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide

N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide (PubChem CID 118252897) has the molecular formula C24H31N5O5 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide
PubChem CID118252897
Molecular FormulaC24H31N5O5
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC NameN-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide
SMILESCCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(C)C(C)(C)C2
InChIInChI=1S/C24H31N5O5/c1-6-33-22-17(7-8-19(26-22)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(3,4)27(5)23(32)20(16)18/h7-8,14H,6,9-13H2,1-5H3,(H,25,31)
InChIKeyXYHZHWGJEUKZIR-UHFFFAOYSA-N
XLogP2.40
TPSA108.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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-[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-(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]-4-oxo-5-(2-phenylmethoxyethyl)-6,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118253072
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
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
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-(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-[(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-(6-chloro-2-propan-2-yloxy-3-pyridinyl)-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
CID 118252903

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 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) is N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide is CCOc1nc(N2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)N(C)C(C)(C)C2.
What is the InChIKey of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide?
The InChIKey is XYHZHWGJEUKZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5/c1-6-33-22-17(7-8-19(26-22)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(3,4)27(5)23(32)20(16)18/h7-8,14H,6,9-13H2,1-5H3,(H,25,31).
What are the key properties of N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide?
N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylpiperazin-1-yl)-2-ethoxy-3-pyridinyl]-5,6,6-trimethyl-4-oxo-7H-furo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118252897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).