2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide

C15H19N5O3S — CID 94818852

IUPAC2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)20-7-2-3-13(10-20)18-15(21)12-4-5-17-14(9-12)19-8-6-16-11-19/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyPYYDVWRQYFTDMD-CYBMUJFWSA-N
MW349.42 g/mol
LogP0.42
Rot. Bonds4

About 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide

2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide (PubChem CID 94818852) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
PubChem CID94818852
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
SMILESCS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1
InChIInChI=1S/C15H19N5O3S/c1-24(22,23)20-7-2-3-13(10-20)18-15(21)12-4-5-17-14(9-12)19-8-6-16-11-19/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,18,21)/t13-/m1/s1
InChIKeyPYYDVWRQYFTDMD-CYBMUJFWSA-N
XLogP0.42
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-tert-butylpyrrolidin-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481590
2-imidazol-1-yl-4-[(1-methylsulfonylpiperidin-3-yl)methyl]pyridine
CID 110257313
2-imidazol-1-yl-N-(2-methylpiperidin-4-yl)pyridine-4-carboxamide;dihydrochloride
CID 120598171
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
2-imidazol-1-yl-N-[4-(2-methoxyethoxy)cyclohexyl]pyridine-4-carboxamide
CID 156885753
N-(1-methylsulfonylpiperidin-3-yl)-2-phenylmethoxypyridine-4-carboxamide
CID 47910567
4-methyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910179
2-imidazol-1-yl-N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]pyridine-4-carboxamide
CID 94180241
2-imidazol-1-yl-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 87045978
3-[[(R)-methylsulfinyl]methyl]-N-[(3S)-1-methylsulfonylpiperidin-3-yl]benzamide
CID 95305202
(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281721
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide (CID 94818852) is 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide is CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccnc(-n3ccnc3)c2)C1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is PYYDVWRQYFTDMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-24(22,23)20-7-2-3-13(10-20)18-15(21)12-4-5-17-14(9-12)19-8-6-16-11-19/h4-6,8-9,11,13H,2-3,7,10H2,1H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide?
2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 94818852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).