N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

C25H23N3O2S — CID 11846729

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2SCc2ccnc3ccccc23)cc1
InChIInChI=1S/C25H23N3O2S/c1-30-20-10-8-18(9-11-20)12-15-27-24(29)22-6-4-14-28-25(22)31-17-19-13-16-26-23-7-3-2-5-21(19)23/h2-11,13-14,16H,12,15,17H2,1H3,(H,27,29)
InChIKeyLYEZFDLNUCMNQO-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.90
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide (PubChem CID 11846729) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
PubChem CID11846729
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cccnc2SCc2ccnc3ccccc23)cc1
InChIInChI=1S/C25H23N3O2S/c1-30-20-10-8-18(9-11-20)12-15-27-24(29)22-6-4-14-28-25(22)31-17-19-13-16-26-23-7-3-2-5-21(19)23/h2-11,13-14,16H,12,15,17H2,1H3,(H,27,29)
InChIKeyLYEZFDLNUCMNQO-UHFFFAOYSA-N
XLogP4.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 3519219
N-(4-hydroxyphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846554
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
N-(4-hydroxy-3,5-dimethylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846726
N-(3-methylsulfanylphenyl)-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11846555
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 24512592
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyridine-3-carboxamide
CID 33158106
2-cyclopentylsulfanyl-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 55919507
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide (CID 11846729) is N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide is COc1ccc(CCNC(=O)c2cccnc2SCc2ccnc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is LYEZFDLNUCMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-30-20-10-8-18(9-11-20)12-15-27-24(29)22-6-4-14-28-25(22)31-17-19-13-16-26-23-7-3-2-5-21(19)23/h2-11,13-14,16H,12,15,17H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 429.55 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 11846729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).