4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide

C18H20N2O2S — CID 164878150

IUPAC4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(S(=O)C3CCCCC3)cc2)ccn1
InChIInChI=1S/C18H20N2O2S/c19-18(21)17-12-14(10-11-20-17)13-6-8-16(9-7-13)23(22)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,19,21)
InChIKeyIWPICLYOSYPAQE-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.29
Rot. Bonds4

About 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide

4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide (PubChem CID 164878150) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide
PubChem CID164878150
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(S(=O)C3CCCCC3)cc2)ccn1
InChIInChI=1S/C18H20N2O2S/c19-18(21)17-12-14(10-11-20-17)13-6-8-16(9-7-13)23(22)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,19,21)
InChIKeyIWPICLYOSYPAQE-UHFFFAOYSA-N
XLogP3.29
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-carbamoyl-4-pyridinyl)benzenesulfinate
CID 167479075
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
4-[(2,6-dimethylpiperidin-1-yl)amino]pyridine-2-carboxamide
CID 83026708
4-[3-aminopropyl(cyclohexyl)amino]pyridine-2-carboxamide
CID 43517535
1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
1-[(Z)-[amino-(4-phenyl-2-pyridinyl)methylidene]amino]-3-cyclohexylthiourea
CID 170856640
2-(cyclohexylmethyl)-6-pyridin-4-ylquinoline-4-carboxamide
CID 118279658
4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
CID 60980958
4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
CID 75509698
4-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63855097

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide (CID 164878150) is 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(S(=O)C3CCCCC3)cc2)ccn1.
What is the InChIKey of 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide?
The InChIKey is IWPICLYOSYPAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c19-18(21)17-12-14(10-11-20-17)13-6-8-16(9-7-13)23(22)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H2,19,21).
What are the key properties of 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide?
4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylsulfinylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 164878150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).