2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide

C18H23N3O2 — CID 18127981

IUPAC2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccoc1C
InChIInChI=1S/C18H23N3O2/c1-13-12-15(21-9-7-20(3)8-10-21)4-5-17(13)19-18(22)16-6-11-23-14(16)2/h4-6,11-12H,7-10H2,1-3H3,(H,19,22)
InChIKeyJUUDSMXUVYDWHI-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.90
Rot. Bonds3

About 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide

2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide (PubChem CID 18127981) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
PubChem CID18127981
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
SMILESCc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccoc1C
InChIInChI=1S/C18H23N3O2/c1-13-12-15(21-9-7-20(3)8-10-21)4-5-17(13)19-18(22)16-6-11-23-14(16)2/h4-6,11-12H,7-10H2,1-3H3,(H,19,22)
InChIKeyJUUDSMXUVYDWHI-UHFFFAOYSA-N
XLogP2.90
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-[2-[2-methyl-4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]furan-2-carboxamide
CID 18158972
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
4,5-dibromo-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 36558379
6-(furan-2-yl)-3-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30003571
4-chloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18127990
[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]thiourea
CID 169357403
3,4-diethoxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559277
N'-[(2S)-3-methylbutan-2-yl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 94029173
(3R)-3-hydroxy-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 111102213

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide (CID 18127981) is 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide is Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccoc1C.
What is the InChIKey of 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide?
The InChIKey is JUUDSMXUVYDWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-12-15(21-9-7-20(3)8-10-21)4-5-17(13)19-18(22)16-6-11-23-14(16)2/h4-6,11-12H,7-10H2,1-3H3,(H,19,22).
What are the key properties of 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide?
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 18127981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).