N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide

C21H29N5O3S — CID 170610820

IUPACN-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)NC2CCN(S(=O)(=O)C3CCCCC3)CC2)nc(-n2ccnc2)c1
InChIInChI=1S/C21H29N5O3S/c1-16-13-19(24-20(14-16)25-12-9-22-15-25)21(27)23-17-7-10-26(11-8-17)30(28,29)18-5-3-2-4-6-18/h9,12-15,17-18H,2-8,10-11H2,1H3,(H,23,27)
InChIKeyYAPQPHPTENLVRE-UHFFFAOYSA-N
MW431.56 g/mol
LogP2.43
Rot. Bonds5

About N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide

N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide (PubChem CID 170610820) has the molecular formula C21H29N5O3S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
PubChem CID170610820
Molecular FormulaC21H29N5O3S
Molecular Weight431.56 g/mol
Exact Mass431.20
IUPAC NameN-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
SMILESCc1cc(C(=O)NC2CCN(S(=O)(=O)C3CCCCC3)CC2)nc(-n2ccnc2)c1
InChIInChI=1S/C21H29N5O3S/c1-16-13-19(24-20(14-16)25-12-9-22-15-25)21(27)23-17-7-10-26(11-8-17)30(28,29)18-5-3-2-4-6-18/h9,12-15,17-18H,2-8,10-11H2,1H3,(H,23,27)
InChIKeyYAPQPHPTENLVRE-UHFFFAOYSA-N
XLogP2.43
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-imidazol-1-yl-4-methyl-N-(1-propylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 170610864
6-imidazol-1-yl-4-methyl-N-[(3S)-piperidin-3-yl]pyridine-2-carboxamide;dihydrochloride
CID 170610902
6-imidazol-1-yl-4-methyl-N-[(3R)-2-oxopiperidin-3-yl]pyridine-2-carboxamide
CID 170610802
N-cyclohexyl-6-imidazol-1-ylpyrazine-2-carboxamide;difluoromethane;molecular hydrogen
CID 166481425
N-[(3S)-4,4-difluorooxan-3-yl]-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
CID 170610855
N-cyclohexyl-6-imidazol-1-ylpyridine-2-carboxamide;2-methoxyethanol;molecular hydrogen
CID 156885840
N-cyclohexyl-2-imidazol-1-yl-6-propan-2-ylpyrimidine-4-carboxamide;methanol;molecular hydrogen
CID 166480910
N-cyclohexyl-4-(difluoromethyl)-6-imidazol-1-ylpyrimidine-2-carboxamide;methanol;molecular hydrogen
CID 166480957
tert-butyl 4-[(6-imidazol-1-ylpyridine-2-carbonyl)amino]piperidine-1-carboxylate
CID 166481495
2-imidazol-1-yl-N-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 94818852
N-cyclohexyl-5-imidazol-1-yl-1H-pyrazolo[3,4-c]pyridine-7-carboxamide
CID 155598646
6-imidazol-1-yl-N-[(3R)-oxan-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 170610880

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide (CID 170610820) is N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide is Cc1cc(C(=O)NC2CCN(S(=O)(=O)C3CCCCC3)CC2)nc(-n2ccnc2)c1.
What is the InChIKey of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The InChIKey is YAPQPHPTENLVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3S/c1-16-13-19(24-20(14-16)25-12-9-22-15-25)21(27)23-17-7-10-26(11-8-17)30(28,29)18-5-3-2-4-6-18/h9,12-15,17-18H,2-8,10-11H2,1H3,(H,23,27).
What are the key properties of N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide has a molecular weight of 431.56 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylsulfonylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 170610820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).