2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C21H26N4O3 — CID 56744102

IUPAC2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)CCC2
InChIInChI=1S/C21H26N4O3/c1-14-18(19-16(26)6-3-7-17(19)28-14)21(27)23-13-15-5-4-8-22-20(15)25-11-9-24(2)10-12-25/h4-5,8H,3,6-7,9-13H2,1-2H3,(H,23,27)
InChIKeyFGWMTVZGMIWCLP-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide

2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 56744102) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID56744102
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)CCC2
InChIInChI=1S/C21H26N4O3/c1-14-18(19-16(26)6-3-7-17(19)28-14)21(27)23-13-15-5-4-8-22-20(15)25-11-9-24(2)10-12-25/h4-5,8H,3,6-7,9-13H2,1-2H3,(H,23,27)
InChIKeyFGWMTVZGMIWCLP-UHFFFAOYSA-N
XLogP2.18
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4,6-trimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56702955
2-methyl-4-oxo-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 91841415
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 75462338
N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 26402282
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 56755377
4-acetamido-3-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 56756917
(2S,6S)-2,6-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]morpholine-4-carboxamide
CID 95176272
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]indole-2-carboxamide
CID 29029683
(3R)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 95215139
2-amino-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylpropanamide
CID 120597599
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 56705354
2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]acetamide
CID 47081718

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 56744102) is 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)CCC2.
What is the InChIKey of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is FGWMTVZGMIWCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-18(19-16(26)6-3-7-17(19)28-14)21(27)23-13-15-5-4-8-22-20(15)25-11-9-24(2)10-12-25/h4-5,8H,3,6-7,9-13H2,1-2H3,(H,23,27).
What are the key properties of 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 56744102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).