2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide

C16H26N4O3S — CID 133131844

IUPAC2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCCC[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1cccnc1N(C)C
InChIInChI=1S/C16H26N4O3S/c1-5-7-12-10-20(24(4,22)23)11-14(12)18-16(21)13-8-6-9-17-15(13)19(2)3/h6,8-9,12,14H,5,7,10-11H2,1-4H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyURBSZOBXDRAKFM-TZMCWYRMSA-N
MW354.48 g/mol
LogP0.94
Rot. Bonds6

About 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide

2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 133131844) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID133131844
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCCC[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1cccnc1N(C)C
InChIInChI=1S/C16H26N4O3S/c1-5-7-12-10-20(24(4,22)23)11-14(12)18-16(21)13-8-6-9-17-15(13)19(2)3/h6,8-9,12,14H,5,7,10-11H2,1-4H3,(H,18,21)/t12-,14-/m1/s1
InChIKeyURBSZOBXDRAKFM-TZMCWYRMSA-N
XLogP0.94
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-3-carboxamide
CID 72862071
1-methyl-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]-2-oxopyridine-4-carboxamide
CID 72927676
N-[(3S,4R)-4-cyclopropyl-1-methylsulfonylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 133126149
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]-4-ethoxybenzamide
CID 91923095
2-(3-methyl-1,2-oxazol-5-yl)-N-[(3R,4S)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]acetamide
CID 72939147
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylsulfonylpyrrolidin-3-yl]furan-3-carboxamide
CID 91923090
2-(dimethylamino)-N,N-dimethylpyridine-3-carboxamide
CID 53015798
2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 154898059
N-[(3R,4S)-1-(3-fluoro-2-pyridinyl)-4-propylpyrrolidin-3-yl]-2-(methanesulfonamido)acetamide
CID 72902143
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
2-(dimethylamino)-N-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 110475168
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide (CID 133131844) is 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide is CCC[C@@H]1CN(S(C)(=O)=O)C[C@H]1NC(=O)c1cccnc1N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is URBSZOBXDRAKFM-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-5-7-12-10-20(24(4,22)23)11-14(12)18-16(21)13-8-6-9-17-15(13)19(2)3/h6,8-9,12,14H,5,7,10-11H2,1-4H3,(H,18,21)/t12-,14-/m1/s1.
What are the key properties of 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(3S,4R)-1-methylsulfonyl-4-propylpyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133131844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).