N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide

C19H21N3O3 — CID 120659344

IUPACN-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2C[C@H]3CNC[C@H]3C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H21N3O3/c1-12-4-5-13(7-16(12)21-18(23)17-3-2-6-25-17)19(24)22-10-14-8-20-9-15(14)11-22/h2-7,14-15,20H,8-11H2,1H3,(H,21,23)/t14-,15+
InChIKeyNLULWETVTFSIKF-GASCZTMLSA-N
MW339.40 g/mol
LogP2.13
Rot. Bonds3

About N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide

N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 120659344) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID120659344
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)N2C[C@H]3CNC[C@H]3C2)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H21N3O3/c1-12-4-5-13(7-16(12)21-18(23)17-3-2-6-25-17)19(24)22-10-14-8-20-9-15(14)11-22/h2-7,14-15,20H,8-11H2,1H3,(H,21,23)/t14-,15+
InChIKeyNLULWETVTFSIKF-GASCZTMLSA-N
XLogP2.13
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-methyl-5-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 6459657
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]furan-2-carboxamide
CID 119469960
N-[5-[4-(aminomethyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 119422876
N-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]furan-2-carboxamide
CID 17454978
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-4,5-dimethoxyphenyl]furan-2-carboxamide;hydrochloride
CID 120657177
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-[2-methyl-5-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 119394743
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
N-[5-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 55956380
N-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-oxopropyl]furan-2-carboxamide
CID 120657817
N-[2-methyl-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 18157076

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 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) is N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide is Cc1ccc(C(=O)N2C[C@H]3CNC[C@H]3C2)cc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is NLULWETVTFSIKF-GASCZTMLSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-4-5-13(7-16(12)21-18(23)17-3-2-6-25-17)19(24)22-10-14-8-20-9-15(14)11-22/h2-7,14-15,20H,8-11H2,1H3,(H,21,23)/t14-,15+.
What are the key properties of N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide?
N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 120659344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).