N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C19H22N4O2 — CID 167869501

IUPACN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3COc4ccccc43)cn2)CC1
InChIInChI=1S/C19H22N4O2/c1-22-8-10-23(11-9-22)18-7-6-14(12-20-18)21-19(24)16-13-25-17-5-3-2-4-15(16)17/h2-7,12,16H,8-11,13H2,1H3,(H,21,24)
InChIKeyFCGHSMXHWFTVBC-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds3

About N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 167869501) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID167869501
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3COc4ccccc43)cn2)CC1
InChIInChI=1S/C19H22N4O2/c1-22-8-10-23(11-9-22)18-7-6-14(12-20-18)21-19(24)16-13-25-17-5-3-2-4-15(16)17/h2-7,12,16H,8-11,13H2,1H3,(H,21,24)
InChIKeyFCGHSMXHWFTVBC-UHFFFAOYSA-N
XLogP1.95
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 113262838
5-hydroxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 126777323
2-(2-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 51321278
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122299123
5-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 30548234
(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 31519863
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 126781276
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 55634906

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 167869501) is N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide is CN1CCN(c2ccc(NC(=O)C3COc4ccccc43)cn2)CC1.
What is the InChIKey of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is FCGHSMXHWFTVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-8-10-23(11-9-22)18-7-6-14(12-20-18)21-19(24)16-13-25-17-5-3-2-4-15(16)17/h2-7,12,16H,8-11,13H2,1H3,(H,21,24).
What are the key properties of N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167869501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).