N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide

C18H21N3O3 — CID 119469960

IUPACN-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCNCC2C)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H21N3O3/c1-12-5-6-14(18(23)21-8-7-19-11-13(21)2)10-15(12)20-17(22)16-4-3-9-24-16/h3-6,9-10,13,19H,7-8,11H2,1-2H3,(H,20,22)
InChIKeySTOCVLVVQDTDIT-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.27
Rot. Bonds3

About N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide

N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide (PubChem CID 119469960) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
PubChem CID119469960
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCNCC2C)cc1NC(=O)c1ccco1
InChIInChI=1S/C18H21N3O3/c1-12-5-6-14(18(23)21-8-7-19-11-13(21)2)10-15(12)20-17(22)16-4-3-9-24-16/h3-6,9-10,13,19H,7-8,11H2,1-2H3,(H,20,22)
InChIKeySTOCVLVVQDTDIT-UHFFFAOYSA-N
XLogP2.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-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

N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 120659344
N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526
N-[2-methyl-5-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 55550875
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-(4-benzamidopiperidine-1-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 37019545
N-[5-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 120944606
N-[5-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 41138513
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[2-fluoro-5-(2-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119471204

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide (CID 119469960) is N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2CCNCC2C)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
The InChIKey is STOCVLVVQDTDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-5-6-14(18(23)21-8-7-19-11-13(21)2)10-15(12)20-17(22)16-4-3-9-24-16/h3-6,9-10,13,19H,7-8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide?
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 119469960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).