2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide

C19H23N3O2S — CID 86967706

IUPAC2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)ccn1
InChIInChI=1S/C19H23N3O2S/c1-3-24-18-13-15(6-7-20-18)19(23)21-16-4-5-17(14(2)12-16)22-8-10-25-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyBCGDMZZIPOBCPR-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.59
Rot. Bonds5

About 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide

2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide (PubChem CID 86967706) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide
PubChem CID86967706
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)ccn1
InChIInChI=1S/C19H23N3O2S/c1-3-24-18-13-15(6-7-20-18)19(23)21-16-4-5-17(14(2)12-16)22-8-10-25-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyBCGDMZZIPOBCPR-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
CID 86967497
N-(4-bromo-3-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110863112
3,4-difluoro-N-(3-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 38117000
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 38117199
5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide
CID 86876202
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 46430491
3-methoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)piperidine-1-carboxamide
CID 56801108
N-(4-ethoxy-3-methylphenyl)quinoline-6-carboxamide
CID 86874562
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(methanesulfonamido)benzamide
CID 41478998
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
N-(3-chloro-4-thiomorpholin-4-ylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 51129835

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide (CID 86967706) is 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)ccn1.
What is the InChIKey of 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide?
The InChIKey is BCGDMZZIPOBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-24-18-13-15(6-7-20-18)19(23)21-16-4-5-17(14(2)12-16)22-8-10-25-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,21,23).
What are the key properties of 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide?
2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(3-methyl-4-thiomorpholin-4-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 86967706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).