2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide

C20H18N2O2S — CID 2446896

IUPAC2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-25-20-18(8-5-13-21-20)19(23)22-16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23)
InChIKeyMTLDLZXJOWIIBO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.63
Rot. Bonds6

About 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide (PubChem CID 2446896) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
PubChem CID2446896
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC Name2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2S/c1-25-20-18(8-5-13-21-20)19(23)22-16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23)
InChIKeyMTLDLZXJOWIIBO-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
[2-oxo-2-(4-phenylmethoxyanilino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8003023
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2511417
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030
N-(4-phenylmethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1257102

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide (CID 2446896) is 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is MTLDLZXJOWIIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-25-20-18(8-5-13-21-20)19(23)22-16-9-11-17(12-10-16)24-14-15-6-3-2-4-7-15/h2-13H,14H2,1H3,(H,22,23).
What are the key properties of 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2446896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).