N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane

C17H22ClN3O3 — CID 170715575

IUPACN-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane
SMILESCC.COc1cc(NC(=O)Cc2cnc(C)c(OC)c2)ncc1Cl
InChIInChI=1S/C15H16ClN3O3.C2H6/c1-9-12(21-2)4-10(7-17-9)5-15(20)19-14-6-13(22-3)11(16)8-18-14;1-2/h4,6-8H,5H2,1-3H3,(H,18,19,20);1-2H3
InChIKeyZZEDLLNNEUAESX-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.66
Rot. Bonds5

About N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane

N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane (PubChem CID 170715575) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane
PubChem CID170715575
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane
SMILESCC.COc1cc(NC(=O)Cc2cnc(C)c(OC)c2)ncc1Cl
InChIInChI=1S/C15H16ClN3O3.C2H6/c1-9-12(21-2)4-10(7-17-9)5-15(20)19-14-6-13(22-3)11(16)8-18-14;1-2/h4,6-8H,5H2,1-3H3,(H,18,19,20);1-2H3
InChIKeyZZEDLLNNEUAESX-UHFFFAOYSA-N
XLogP3.66
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-3-methoxy-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715780
tert-butyl 3-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]piperidine-1-carboxylate
CID 170715645
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-methoxyphenyl]acetamide
CID 170715672
tert-butyl 4-[5-[2-[(5-chloro-4-methoxy-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3-methyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170715592
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113047933
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
2-(3-chloro-4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110767105
N-(5,6-dimethylpyridazin-3-yl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 136525992
tert-butyl 5-[5-[2-[(4-methoxy-5-methyl-2-pyridinyl)amino]-2-oxoethyl]-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 170715565
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 8501521
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113019115

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane?
The IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane (CID 170715575) is N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane?
The canonical SMILES for N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane is CC.COc1cc(NC(=O)Cc2cnc(C)c(OC)c2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane?
The InChIKey is ZZEDLLNNEUAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3.C2H6/c1-9-12(21-2)4-10(7-17-9)5-15(20)19-14-6-13(22-3)11(16)8-18-14;1-2/h4,6-8H,5H2,1-3H3,(H,18,19,20);1-2H3.
What are the key properties of N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane?
N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane has a molecular weight of 351.83 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-2-pyridinyl)-2-(5-methoxy-6-methyl-3-pyridinyl)acetamide;ethane is sourced from PubChem (CID 170715575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).