6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

C16H27ClN4O3S — CID 154897931

IUPAC6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1NS(C)(=O)=O.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-5-6-13-10-20(11-14(13)18-24(4,22)23)15-8-7-12(9-17-15)16(21)19(2)3;/h7-9,13-14,18H,5-6,10-11H2,1-4H3;1H/t13-,14-;/m0./s1
InChIKeyLNPUBQLWZPXADV-IODNYQNNSA-N
MW390.94 g/mol
LogP1.36
Rot. Bonds6

About 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride

6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (PubChem CID 154897931) has the molecular formula C16H27ClN4O3S and a molecular weight of 390.94 g/mol. Its IUPAC name is 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
PubChem CID154897931
Molecular FormulaC16H27ClN4O3S
Molecular Weight390.94 g/mol
Exact Mass390.15
IUPAC Name6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
SMILESCCC[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1NS(C)(=O)=O.Cl
InChIInChI=1S/C16H26N4O3S.ClH/c1-5-6-13-10-20(11-14(13)18-24(4,22)23)15-8-7-12(9-17-15)16(21)19(2)3;/h7-9,13-14,18H,5-6,10-11H2,1-4H3;1H/t13-,14-;/m0./s1
InChIKeyLNPUBQLWZPXADV-IODNYQNNSA-N
XLogP1.36
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The IUPAC name of 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride (CID 154897931) is 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is CCC[C@H]1CN(c2ccc(C(=O)N(C)C)cn2)C[C@@H]1NS(C)(=O)=O.Cl.
What is the InChIKey of 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
The InChIKey is LNPUBQLWZPXADV-IODNYQNNSA-N. The full InChI is InChI=1S/C16H26N4O3S.ClH/c1-5-6-13-10-20(11-14(13)18-24(4,22)23)15-8-7-12(9-17-15)16(21)19(2)3;/h7-9,13-14,18H,5-6,10-11H2,1-4H3;1H/t13-,14-;/m0./s1.
What are the key properties of 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride?
6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride has a molecular weight of 390.94 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,4S)-3-(methanesulfonamido)-4-propylpyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 154897931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).