N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide

C16H25N3O4S — CID 55966193

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCc1cccnc1OC
InChIInChI=1S/C16H25N3O4S/c1-3-11-24(21,22)19-10-5-4-8-14(19)15(20)18-12-13-7-6-9-17-16(13)23-2/h6-7,9,14H,3-5,8,10-12H2,1-2H3,(H,18,20)
InChIKeyBWKVNGTZZIRAGM-UHFFFAOYSA-N
MW355.46 g/mol
LogP1.30
Rot. Bonds7

About N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide (PubChem CID 55966193) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
PubChem CID55966193
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCc1cccnc1OC
InChIInChI=1S/C16H25N3O4S/c1-3-11-24(21,22)19-10-5-4-8-14(19)15(20)18-12-13-7-6-9-17-16(13)23-2/h6-7,9,14H,3-5,8,10-12H2,1-2H3,(H,18,20)
InChIKeyBWKVNGTZZIRAGM-UHFFFAOYSA-N
XLogP1.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
(3R)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956462
N-[(4-phenylmethoxyphenyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55966570
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)piperidine-2-carboxamide
CID 56585573
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
(2S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94026231
(2R)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 95158838
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
1-propylsulfonyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]piperidine-2-carboxamide
CID 55835325
N-[3-[[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903591
1-propylsulfonyl-N-(3-quinolin-8-yloxypropyl)pyrrolidine-2-carboxamide
CID 56534694

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide (CID 55966193) is N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide is CCCS(=O)(=O)N1CCCCC1C(=O)NCc1cccnc1OC.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
The InChIKey is BWKVNGTZZIRAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-11-24(21,22)19-10-5-4-8-14(19)15(20)18-12-13-7-6-9-17-16(13)23-2/h6-7,9,14H,3-5,8,10-12H2,1-2H3,(H,18,20).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 1.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 55966193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).