N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

C23H29N5O3 — CID 86299478

IUPACN-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCCN1CCN(Cc2cc3c(=O)n(C)cc(-c4ccnc(NC(C)=O)c4)c3o2)C(C)C1
InChIInChI=1S/C23H29N5O3/c1-5-27-8-9-28(15(2)12-27)13-18-11-19-22(31-18)20(14-26(4)23(19)30)17-6-7-24-21(10-17)25-16(3)29/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3,(H,24,25,29)
InChIKeyXNHPRIVDYPNHBX-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.68
Rot. Bonds5

About N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (PubChem CID 86299478) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
PubChem CID86299478
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCCN1CCN(Cc2cc3c(=O)n(C)cc(-c4ccnc(NC(C)=O)c4)c3o2)C(C)C1
InChIInChI=1S/C23H29N5O3/c1-5-27-8-9-28(15(2)12-27)13-18-11-19-22(31-18)20(14-26(4)23(19)30)17-6-7-24-21(10-17)25-16(3)29/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3,(H,24,25,29)
InChIKeyXNHPRIVDYPNHBX-UHFFFAOYSA-N
XLogP2.68
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (CID 86299478) is N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is CCN1CCN(Cc2cc3c(=O)n(C)cc(-c4ccnc(NC(C)=O)c4)c3o2)C(C)C1.
What is the InChIKey of N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The InChIKey is XNHPRIVDYPNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-5-27-8-9-28(15(2)12-27)13-18-11-19-22(31-18)20(14-26(4)23(19)30)17-6-7-24-21(10-17)25-16(3)29/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3,(H,24,25,29).
What are the key properties of N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 86299478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).