5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride

C17H30ClN3O2 — CID 154899312

IUPAC5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride
SMILESCC(C)[C@H]1CN(Cc2ccc(C(=O)N(C)C)o2)C[C@@H]1N(C)C.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-12(2)14-10-20(11-15(14)18(3)4)9-13-7-8-16(22-13)17(21)19(5)6;/h7-8,12,14-15H,9-11H2,1-6H3;1H/t14-,15+;/m1./s1
InChIKeyWRHHBWBGGYCPTQ-LIOBNPLQSA-N
MW343.90 g/mol
LogP2.42
Rot. Bonds5

About 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride

5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride (PubChem CID 154899312) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride
PubChem CID154899312
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride
SMILESCC(C)[C@H]1CN(Cc2ccc(C(=O)N(C)C)o2)C[C@@H]1N(C)C.Cl
InChIInChI=1S/C17H29N3O2.ClH/c1-12(2)14-10-20(11-15(14)18(3)4)9-13-7-8-16(22-13)17(21)19(5)6;/h7-8,12,14-15H,9-11H2,1-6H3;1H/t14-,15+;/m1./s1
InChIKeyWRHHBWBGGYCPTQ-LIOBNPLQSA-N
XLogP2.42
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride?
The IUPAC name of 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride (CID 154899312) is 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride is CC(C)[C@H]1CN(Cc2ccc(C(=O)N(C)C)o2)C[C@@H]1N(C)C.Cl.
What is the InChIKey of 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride?
The InChIKey is WRHHBWBGGYCPTQ-LIOBNPLQSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c1-12(2)14-10-20(11-15(14)18(3)4)9-13-7-8-16(22-13)17(21)19(5)6;/h7-8,12,14-15H,9-11H2,1-6H3;1H/t14-,15+;/m1./s1.
What are the key properties of 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride?
5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 154899312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).