6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide

C19H23N3O2S — CID 126471590

IUPAC6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCSc1ccccc1CNC(=O)c1ccc(C)nc1N1CCOCC1
InChIInChI=1S/C19H23N3O2S/c1-14-7-8-16(18(21-14)22-9-11-24-12-10-22)19(23)20-13-15-5-3-4-6-17(15)25-2/h3-8H,9-13H2,1-2H3,(H,20,23)
InChIKeyBIFBBVZETBIWDP-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.88
Rot. Bonds5

About 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide

6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 126471590) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID126471590
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCSc1ccccc1CNC(=O)c1ccc(C)nc1N1CCOCC1
InChIInChI=1S/C19H23N3O2S/c1-14-7-8-16(18(21-14)22-9-11-24-12-10-22)19(23)20-13-15-5-3-4-6-17(15)25-2/h3-8H,9-13H2,1-2H3,(H,20,23)
InChIKeyBIFBBVZETBIWDP-UHFFFAOYSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-({4-Hydroxy-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
CID 135406328
2-ethylsulfanyl-N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56952018
2-ethylsulfanyl-N-[(4-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-pyridine-3-carboxylic acid amide
CID 56962762
N-(4,4-dimethylpentyl)-2-ethylsulfanyl-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963081
2-ethylsulfanyl-4-methyl-N-(4-methylpentyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 56963160
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
2-ethylsulfanyl-N-[(3-fluoro-5-methylphenyl)methyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 71720495
5-(2-Methoxyethylamino)-3-methyl-7-(4-methylsulfonyl-3-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
CID 50923701
3-Methyl-7-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66958757
3-Methyl-7-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66958774
3-Methyl-7-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66958883
5-(Cyclopropylamino)-3-methyl-7-[3-methylsulfonyl-4-(morpholin-4-ylmethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66959214

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide (CID 126471590) is 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide is CSc1ccccc1CNC(=O)c1ccc(C)nc1N1CCOCC1.
What is the InChIKey of 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is BIFBBVZETBIWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-7-8-16(18(21-14)22-9-11-24-12-10-22)19(23)20-13-15-5-3-4-6-17(15)25-2/h3-8H,9-13H2,1-2H3,(H,20,23).
What are the key properties of 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide?
6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-methylsulfanylphenyl)methyl]-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 126471590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).