N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

C24H30N4O5 — CID 118253020

IUPACN-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
SMILESCCOc1nc(C2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2
InChIInChI=1S/C24H30N4O5/c1-5-32-23-18(7-6-17(26-23)15-8-10-28(11-9-15)14(2)29)25-21(30)16-13-33-19-12-24(3,4)27-22(31)20(16)19/h6-7,13,15H,5,8-12H2,1-4H3,(H,25,30)(H,27,31)
InChIKeyRIFHGMKOQSKFJV-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.12
Rot. Bonds5

About N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide

N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide (PubChem CID 118253020) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
PubChem CID118253020
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide
SMILESCCOc1nc(C2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2
InChIInChI=1S/C24H30N4O5/c1-5-32-23-18(7-6-17(26-23)15-8-10-28(11-9-15)14(2)29)25-21(30)16-13-33-19-12-24(3,4)27-22(31)20(16)19/h6-7,13,15H,5,8-12H2,1-4H3,(H,25,30)(H,27,31)
InChIKeyRIFHGMKOQSKFJV-UHFFFAOYSA-N
XLogP3.12
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 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) is N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is CCOc1nc(C2CCN(C(C)=O)CC2)ccc1NC(=O)c1coc2c1C(=O)NC(C)(C)C2.
What is the InChIKey of N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
The InChIKey is RIFHGMKOQSKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-5-32-23-18(7-6-17(26-23)15-8-10-28(11-9-15)14(2)29)25-21(30)16-13-33-19-12-24(3,4)27-22(31)20(16)19/h6-7,13,15H,5,8-12H2,1-4H3,(H,25,30)(H,27,31).
What are the key properties of N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide?
N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-acetylpiperidin-4-yl)-2-ethoxy-3-pyridinyl]-6,6-dimethyl-4-oxo-5,7-dihydrofuro[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 118253020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).