1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide

C15H19N5O3S — CID 5308551

IUPAC1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C15H19N5O3S/c1-11-4-5-17-13(7-11)19-15(21)12-3-2-6-20(9-12)24(22,23)14-8-16-10-18-14/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,16,18)(H,17,19,21)
InChIKeyCPYCPYYIBWXGDP-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.15
Rot. Bonds4

About 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 5308551) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID5308551
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccnc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
InChIInChI=1S/C15H19N5O3S/c1-11-4-5-17-13(7-11)19-15(21)12-3-2-6-20(9-12)24(22,23)14-8-16-10-18-14/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,16,18)(H,17,19,21)
InChIKeyCPYCPYYIBWXGDP-UHFFFAOYSA-N
XLogP1.15
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 5308551) is 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccnc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1.
What is the InChIKey of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is CPYCPYYIBWXGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-11-4-5-17-13(7-11)19-15(21)12-3-2-6-20(9-12)24(22,23)14-8-16-10-18-14/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H,16,18)(H,17,19,21).
What are the key properties of 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylsulfonyl)-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 5308551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).