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

C20H24ClN3O5 — CID 120657177

IUPACN-[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
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)N2C[C@H]3CNC[C@H]3C2)cc1OC.Cl
InChIInChI=1S/C20H23N3O5.ClH/c1-26-17-6-14(20(25)23-10-12-8-21-9-13(12)11-23)15(7-18(17)27-2)22-19(24)16-4-3-5-28-16;/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24);1H/t12-,13+;
InChIKeyVIWKWTPEYZCSTO-OEEJBDNKSA-N
MW421.88 g/mol
LogP2.26
Rot. Bonds5

About 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

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 (PubChem CID 120657177) has the molecular formula C20H24ClN3O5 and a molecular weight of 421.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID120657177
Molecular FormulaC20H24ClN3O5
Molecular Weight421.88 g/mol
Exact Mass421.14
IUPAC NameN-[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
SMILESCOc1cc(NC(=O)c2ccco2)c(C(=O)N2C[C@H]3CNC[C@H]3C2)cc1OC.Cl
InChIInChI=1S/C20H23N3O5.ClH/c1-26-17-6-14(20(25)23-10-12-8-21-9-13(12)11-23)15(7-18(17)27-2)22-19(24)16-4-3-5-28-16;/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24);1H/t12-,13+;
InChIKeyVIWKWTPEYZCSTO-OEEJBDNKSA-N
XLogP2.26
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 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-[4,5-dimethoxy-2-[2-(methylamino)ethylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119501659
N-[4,5-dimethoxy-2-(pyrrolidin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 119511764
N-[2-(2-chlorobenzoyl)-4,5-dimethoxyphenyl]furan-2-carboxamide
CID 2989497
2-hydroxyethyl 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 24530674
N-[4,5-dimethoxy-2-[[(2R)-2-phenylpropyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9456873
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-methoxy-5-methylphenyl)methanone
CID 66212578
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 120658746
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
[2-(carbamoylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 16534373
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-[2,5-dimethoxy-4-(2-methoxyethylcarbamothioylamino)phenyl]furan-2-carboxamide
CID 3169047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(NC(=O)c2ccco2)c(C(=O)N2C[C@H]3CNC[C@H]3C2)cc1OC.Cl.
What is the InChIKey of 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?
The InChIKey is VIWKWTPEYZCSTO-OEEJBDNKSA-N. The full InChI is InChI=1S/C20H23N3O5.ClH/c1-26-17-6-14(20(25)23-10-12-8-21-9-13(12)11-23)15(7-18(17)27-2)22-19(24)16-4-3-5-28-16;/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24);1H/t12-,13+;.
What are the key properties of 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?
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 has a molecular weight of 421.88 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 120657177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).