N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide

C16H16Cl2N4O5 — CID 166199017

IUPACN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide
SMILESCn1cc(NC(=O)COCC(=O)Nc2cc(Cl)c(=O)n(C)c2)cc(Cl)c1=O
InChIInChI=1S/C16H16Cl2N4O5/c1-21-5-9(3-11(17)15(21)25)19-13(23)7-27-8-14(24)20-10-4-12(18)16(26)22(2)6-10/h3-6H,7-8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyORUYWMRSTGQFMC-UHFFFAOYSA-N
MW415.23 g/mol
LogP0.98
Rot. Bonds6

About N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide

N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide (PubChem CID 166199017) has the molecular formula C16H16Cl2N4O5 and a molecular weight of 415.23 g/mol. Its IUPAC name is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide
PubChem CID166199017
Molecular FormulaC16H16Cl2N4O5
Molecular Weight415.23 g/mol
Exact Mass414.05
IUPAC NameN-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide
SMILESCn1cc(NC(=O)COCC(=O)Nc2cc(Cl)c(=O)n(C)c2)cc(Cl)c1=O
InChIInChI=1S/C16H16Cl2N4O5/c1-21-5-9(3-11(17)15(21)25)19-13(23)7-27-8-14(24)20-10-4-12(18)16(26)22(2)6-10/h3-6H,7-8H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyORUYWMRSTGQFMC-UHFFFAOYSA-N
XLogP0.98
TPSA111.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-(methylamino)acetamide;hydrochloride
CID 119822115
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-butoxyacetamide
CID 71856485
N'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-N-cyclopentyloxamide
CID 75477414
5-bromo-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)furan-2-carboxamide
CID 71969472
5-chloro-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 71918090
2-[2-(3,5-dichloroanilino)-2-oxoethoxy]acetic acid
CID 2732298
3,5-dichloro-1-methylpyridin-2-one
CID 18793483
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119821002
3-amino-N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)butanamide
CID 119821015
N-(3,4-dichlorophenyl)-2-(2-methyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293114
(3S)-N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124592184

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide?
The IUPAC name of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide (CID 166199017) is N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide.
What is the SMILES notation for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide?
The canonical SMILES for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide is Cn1cc(NC(=O)COCC(=O)Nc2cc(Cl)c(=O)n(C)c2)cc(Cl)c1=O.
What is the InChIKey of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide?
The InChIKey is ORUYWMRSTGQFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O5/c1-21-5-9(3-11(17)15(21)25)19-13(23)7-27-8-14(24)20-10-4-12(18)16(26)22(2)6-10/h3-6H,7-8H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide?
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide has a molecular weight of 415.23 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide is sourced from PubChem (CID 166199017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).