N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

C24H21N3O2S — CID 11846726

IUPACN-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2SCc2ccnc3ccccc23)cc(C)c1O
InChIInChI=1S/C24H21N3O2S/c1-15-12-18(13-16(2)22(15)28)27-23(29)20-7-5-10-26-24(20)30-14-17-9-11-25-21-8-4-3-6-19(17)21/h3-13,28H,14H2,1-2H3,(H,27,29)
InChIKeyFKYOFIILAHDNIT-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.50
Rot. Bonds5

About N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 11846726) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID11846726
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cccnc2SCc2ccnc3ccccc23)cc(C)c1O
InChIInChI=1S/C24H21N3O2S/c1-15-12-18(13-16(2)22(15)28)27-23(29)20-7-5-10-26-24(20)30-14-17-9-11-25-21-8-4-3-6-19(17)21/h3-13,28H,14H2,1-2H3,(H,27,29)
InChIKeyFKYOFIILAHDNIT-UHFFFAOYSA-N
XLogP5.50
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846554
N-(3-methylsulfanylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846555
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(4-hydroxy-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11166118
2-[[2-[(2-hydroxyacetyl)amino]-4-pyridinyl]methylsulfanyl]-N-(4-hydroxy-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11235977
N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846729
2-[(3-amino-4-pyridinyl)methylsulfanyl]-N-(3,5-dimethylphenyl)pyridine-3-carboxamide
CID 23150953
N-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3375303
4-[[3-[(3,5-dimethylphenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]pyridine-2-carboxylic acid
CID 23093762
N-(3,5-dimethylphenyl)-2-[(2-methylsulfanylpyrimidin-4-yl)methylsulfanyl]pyridine-3-carboxamide
CID 11964936
N-(3,5-dimethylphenyl)-2-[(2-propan-2-yloxy-4-pyridinyl)methylsulfanyl]pyridine-3-carboxamide
CID 23093889
2-pentylsulfanyl-N-phenylpyridine-3-carboxamide
CID 15015989
N-(4-bromo-3-methylphenyl)quinoline-4-carboxamide
CID 78911729

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 11846726) is N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cccnc2SCc2ccnc3ccccc23)cc(C)c1O.
What is the InChIKey of N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is FKYOFIILAHDNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-15-12-18(13-16(2)22(15)28)27-23(29)20-7-5-10-26-24(20)30-14-17-9-11-25-21-8-4-3-6-19(17)21/h3-13,28H,14H2,1-2H3,(H,27,29).
What are the key properties of N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 11846726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).