1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide

C19H27N5O3S — CID 86873711

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)N(c3cccnc3)C(C)C)CC2)cn1C
InChIInChI=1S/C19H27N5O3S/c1-14(2)24(17-6-5-9-20-12-17)19(25)16-7-10-23(11-8-16)28(26,27)18-13-22(4)15(3)21-18/h5-6,9,12-14,16H,7-8,10-11H2,1-4H3
InChIKeyAQWGGXFYIYPAAE-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.97
Rot. Bonds5

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide (PubChem CID 86873711) has the molecular formula C19H27N5O3S and a molecular weight of 405.52 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
PubChem CID86873711
Molecular FormulaC19H27N5O3S
Molecular Weight405.52 g/mol
Exact Mass405.18
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
SMILESCc1nc(S(=O)(=O)N2CCC(C(=O)N(c3cccnc3)C(C)C)CC2)cn1C
InChIInChI=1S/C19H27N5O3S/c1-14(2)24(17-6-5-9-20-12-17)19(25)16-7-10-23(11-8-16)28(26,27)18-13-22(4)15(3)21-18/h5-6,9,12-14,16H,7-8,10-11H2,1-4H3
InChIKeyAQWGGXFYIYPAAE-UHFFFAOYSA-N
XLogP1.97
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-[(E)-2-phenylethenyl]sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 86847677
1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63033046
N-(1-amino-1-oxopropan-2-yl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 49320695
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
(S)-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-phenylmethanol
CID 97239217
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
(2,4-dimethylphenyl) 1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 49318543
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47087946
2-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propanoic acid
CID 62311267
(2R)-2-amino-1-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 120873149
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 46332156

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide (CID 86873711) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide is Cc1nc(S(=O)(=O)N2CCC(C(=O)N(c3cccnc3)C(C)C)CC2)cn1C.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide?
The InChIKey is AQWGGXFYIYPAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3S/c1-14(2)24(17-6-5-9-20-12-17)19(25)16-7-10-23(11-8-16)28(26,27)18-13-22(4)15(3)21-18/h5-6,9,12-14,16H,7-8,10-11H2,1-4H3.
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-propan-2-yl-N-pyridin-3-ylpiperidine-4-carboxamide is sourced from PubChem (CID 86873711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).