N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

C19H17ClN4O2S — CID 51365202

IUPACN-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCOc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccnc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-12-10-17(24-19(22-12)13-5-7-14(26-2)8-6-13)27-11-16(25)23-15-4-3-9-21-18(15)20/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyDSPGDUBGJZEVMQ-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.24
Rot. Bonds6

About N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide

N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (PubChem CID 51365202) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
PubChem CID51365202
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
SMILESCOc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccnc3Cl)n2)cc1
InChIInChI=1S/C19H17ClN4O2S/c1-12-10-17(24-19(22-12)13-5-7-14(26-2)8-6-13)27-11-16(25)23-15-4-3-9-21-18(15)20/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyDSPGDUBGJZEVMQ-UHFFFAOYSA-N
XLogP4.24
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365122
N-(3-bromophenyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365163
2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetic acid
CID 53214856
N-(2-chloro-3-pyridinyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 18276902
N-(2-chloro-3-pyridinyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 7940299
N-(2-chloro-3-pyridinyl)-2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19731057
N-(5-chloro-2-methoxyphenyl)-2-[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide
CID 51365108
N-(2-chloro-3-pyridinyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
CID 50927793
2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
CID 19732704
2-[2-(3,4-dimethoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetohydrazide
CID 100590819
N-(2-chloro-3-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 823681
N-(2-chloro-3-pyridinyl)-2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19640403

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide (CID 51365202) is N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccnc3Cl)n2)cc1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
The InChIKey is DSPGDUBGJZEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c1-12-10-17(24-19(22-12)13-5-7-14(26-2)8-6-13)27-11-16(25)23-15-4-3-9-21-18(15)20/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide?
N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide has a molecular weight of 400.89 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-[2-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 51365202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).