N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

C18H24ClN3O2 — CID 120655838

IUPACN-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2C[C@H]3CNC[C@H]3C2)c1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-11-5-16(11)17(22)20-15-4-2-3-12(6-15)18(23)21-9-13-7-19-8-14(13)10-21;/h2-4,6,11,13-14,16,19H,5,7-10H2,1H3,(H,20,22);1H/t11?,13-,14+,16?;
InChIKeyQFAWCAZJOJVFKC-ZDONSCFWSA-N
MW349.86 g/mol
LogP1.99
Rot. Bonds3

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

N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 120655838) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID120655838
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC NameN-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC1CC1C(=O)Nc1cccc(C(=O)N2C[C@H]3CNC[C@H]3C2)c1.Cl
InChIInChI=1S/C18H23N3O2.ClH/c1-11-5-16(11)17(22)20-15-4-2-3-12(6-15)18(23)21-9-13-7-19-8-14(13)10-21;/h2-4,6,11,13-14,16,19H,5,7-10H2,1H3,(H,20,22);1H/t11?,13-,14+,16?;
InChIKeyQFAWCAZJOJVFKC-ZDONSCFWSA-N
XLogP1.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-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

2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
1-[3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-3-cyclopropylurea;hydrochloride
CID 120657031
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55808081
3-[(2-methylcyclopropanecarbonyl)amino]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119388968
2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 75386847
trans-(1R,2R)-2-methyl-N-[3-[4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 97238780
3-[(2-methylcyclopropanecarbonyl)amino]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463091
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120660239

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 120655838) is N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CC1CC1C(=O)Nc1cccc(C(=O)N2C[C@H]3CNC[C@H]3C2)c1.Cl.
What is the InChIKey of N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is QFAWCAZJOJVFKC-ZDONSCFWSA-N. The full InChI is InChI=1S/C18H23N3O2.ClH/c1-11-5-16(11)17(22)20-15-4-2-3-12(6-15)18(23)21-9-13-7-19-8-14(13)10-21;/h2-4,6,11,13-14,16,19H,5,7-10H2,1H3,(H,20,22);1H/t11?,13-,14+,16?;.
What are the key properties of N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120655838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).