N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide

C22H25N5O3S — CID 95104537

IUPACN-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)c1
InChIInChI=1S/C22H25N5O3S/c1-16-5-3-7-18(11-16)25-22(28)20-14-26(15-24-20)21-9-8-19(12-23-21)31(29,30)27-10-4-6-17(2)13-27/h3,5,7-9,11-12,14-15,17H,4,6,10,13H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKeyLWLGVKQEHBZDHB-KRWDZBQOSA-N
MW439.54 g/mol
LogP3.25
Rot. Bonds5

About N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide

N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide (PubChem CID 95104537) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
PubChem CID95104537
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)c1
InChIInChI=1S/C22H25N5O3S/c1-16-5-3-7-18(11-16)25-22(28)20-14-26(15-24-20)21-9-8-19(12-23-21)31(29,30)27-10-4-6-17(2)13-27/h3,5,7-9,11-12,14-15,17H,4,6,10,13H2,1-2H3,(H,25,28)/t17-/m0/s1
InChIKeyLWLGVKQEHBZDHB-KRWDZBQOSA-N
XLogP3.25
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-1-[5-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide
CID 95104559
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-propylimidazole-4-carboxamide
CID 53179310
1-[5-(3-methylpiperidin-1-yl)sulfonyl-2-pyridinyl]-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 53202877
N-(3-methylphenyl)-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065568
N-(2-ethylphenyl)-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179277
N-(3-methylphenyl)-1-[6-(2-methylpiperidin-1-yl)pyrimidin-4-yl]imidazole-4-carboxamide
CID 53172039
N-[(2-methylphenyl)methyl]-1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)imidazole-4-carboxamide
CID 53179297
5-methyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55332921
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078458
5-(4-methylphenyl)-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 35043688
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide (CID 95104537) is N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide is Cc1cccc(NC(=O)c2cn(-c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cn3)cn2)c1.
What is the InChIKey of N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
The InChIKey is LWLGVKQEHBZDHB-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-16-5-3-7-18(11-16)25-22(28)20-14-26(15-24-20)21-9-8-19(12-23-21)31(29,30)27-10-4-6-17(2)13-27/h3,5,7-9,11-12,14-15,17H,4,6,10,13H2,1-2H3,(H,25,28)/t17-/m0/s1.
What are the key properties of N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide?
N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-1-[5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 95104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).