2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide

C22H22N4O2S — CID 55876154

IUPAC2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2cccnc2SC2CCCC2)cc1
InChIInChI=1S/C22H22N4O2S/c1-26-14-13-23-20(26)19(27)15-8-10-16(11-9-15)25-21(28)18-7-4-12-24-22(18)29-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,28)
InChIKeyKMMFCVMDFQQJLY-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.33
Rot. Bonds6

About 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide

2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 55876154) has the molecular formula C22H22N4O2S and a molecular weight of 406.51 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID55876154
Molecular FormulaC22H22N4O2S
Molecular Weight406.51 g/mol
Exact Mass406.15
IUPAC Name2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCn1ccnc1C(=O)c1ccc(NC(=O)c2cccnc2SC2CCCC2)cc1
InChIInChI=1S/C22H22N4O2S/c1-26-14-13-23-20(26)19(27)15-8-10-16(11-9-15)25-21(28)18-7-4-12-24-22(18)29-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,28)
InChIKeyKMMFCVMDFQQJLY-UHFFFAOYSA-N
XLogP4.33
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentylsulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]pyridine-3-carboxamide
CID 56556209
2-cyclopentylsulfanyl-N-[4-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 55875231
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 31933737
N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-4-carboxamide
CID 17414915
6-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide
CID 18149133
N-[4-(1-methylimidazole-2-carbonyl)phenyl]oxolane-2-carboxamide
CID 51187686
3-methyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]-2-nitrobenzamide
CID 17429559
2-cyclopentylsulfanyl-N-[2-methyl-5-(propanoylamino)phenyl]pyridine-3-carboxamide
CID 55872571
3,5-dimethyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 51187656
4-(1,3-dithian-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 22830690
2-cyclopentylsulfanyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 55871239
2-chloro-4,5-difluoro-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 39951792

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide (CID 55876154) is 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide is Cn1ccnc1C(=O)c1ccc(NC(=O)c2cccnc2SC2CCCC2)cc1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is KMMFCVMDFQQJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2S/c1-26-14-13-23-20(26)19(27)15-8-10-16(11-9-15)25-21(28)18-7-4-12-24-22(18)29-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,28).
What are the key properties of 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide?
2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[4-(1-methylimidazole-2-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55876154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).