6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide

C18H25N5O3S — CID 170610864

IUPAC6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C18H25N5O3S/c1-3-10-27(25,26)23-7-4-15(5-8-23)20-18(24)16-11-14(2)12-17(21-16)22-9-6-19-13-22/h6,9,11-13,15H,3-5,7-8,10H2,1-2H3,(H,20,24)
InChIKeyZFRCWTSSSWVZIA-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.51
Rot. Bonds6

About 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide

6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 170610864) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID170610864
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)cc(-n3ccnc3)n2)CC1
InChIInChI=1S/C18H25N5O3S/c1-3-10-27(25,26)23-7-4-15(5-8-23)20-18(24)16-11-14(2)12-17(21-16)22-9-6-19-13-22/h6,9,11-13,15H,3-5,7-8,10H2,1-2H3,(H,20,24)
InChIKeyZFRCWTSSSWVZIA-UHFFFAOYSA-N
XLogP1.51
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610820
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
4-imidazol-1-yl-2-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine
CID 56700168
6-imidazol-1-yl-4-methyl-N-[(3R)-2-oxopiperidin-3-yl]pyridine-2-carboxamide
CID 170610802
2-amino-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62789252
N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610855
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
CID 46480197
tert-butyl 4-[(6-imidazol-1-ylpyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 166481495
4,5-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylthiophene-3-carboxamide
CID 55962294
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
5-iodo-N-(1-propylsulfonylpiperidin-4-yl)thiophene-3-carboxamide
CID 78950028

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide (CID 170610864) is 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cc(C)cc(-n3ccnc3)n2)CC1.
What is the InChIKey of 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is ZFRCWTSSSWVZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-10-27(25,26)23-7-4-15(5-8-23)20-18(24)16-11-14(2)12-17(21-16)22-9-6-19-13-22/h6,9,11-13,15H,3-5,7-8,10H2,1-2H3,(H,20,24).
What are the key properties of 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide?
6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170610864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).