2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide

C20H20ClFN6O3 — CID 69069753

IUPAC2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide
SMILESCOc1nc(NCCc2c(F)cccc2Cl)cc(-c2ccc(=O)n(CC(=O)NN)c2)n1
InChIInChI=1S/C20H20ClFN6O3/c1-31-20-25-16(12-5-6-19(30)28(10-12)11-18(29)27-23)9-17(26-20)24-8-7-13-14(21)3-2-4-15(13)22/h2-6,9-10H,7-8,11,23H2,1H3,(H,27,29)(H,24,25,26)
InChIKeyCEOYHELFPOBVNW-UHFFFAOYSA-N
MW446.87 g/mol
LogP1.75
Rot. Bonds8

About 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide

2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide (PubChem CID 69069753) has the molecular formula C20H20ClFN6O3 and a molecular weight of 446.87 g/mol. Its IUPAC name is 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide.

Molecular Properties

Compound Name2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide
PubChem CID69069753
Molecular FormulaC20H20ClFN6O3
Molecular Weight446.87 g/mol
Exact Mass446.13
IUPAC Name2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide
SMILESCOc1nc(NCCc2c(F)cccc2Cl)cc(-c2ccc(=O)n(CC(=O)NN)c2)n1
InChIInChI=1S/C20H20ClFN6O3/c1-31-20-25-16(12-5-6-19(30)28(10-12)11-18(29)27-23)9-17(26-20)24-8-7-13-14(21)3-2-4-15(13)22/h2-6,9-10H,7-8,11,23H2,1H3,(H,27,29)(H,24,25,26)
InChIKeyCEOYHELFPOBVNW-UHFFFAOYSA-N
XLogP1.75
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.87
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]methoxy]acetic acid
CID 11698018
N-[2-(2-chloro-6-fluorophenyl)ethyl]-6-(6-methoxy-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine
CID 11553210
1-ethoxycarbonyloxyethyl 3-[6-[2-(2-fluoro-6-methylphenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoate
CID 143652215
N-[2-(2-fluoro-6-methylphenyl)ethyl]-2-methoxy-6-methylpyrimidin-4-amine
CID 143652214
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-N-ethylsulfinyl-2,2-difluoroacetamide
CID 143652168
2-chloro-6-fluoro-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzamide
CID 90515800
N-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]-2-methoxy-6-phenylpyrimidin-4-amine
CID 141138716
2-(2-chloro-6-fluorophenyl)-N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 121106801
3-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-3-methylbutan-2-one
CID 58990372
1-ethoxycarbonyloxyethyl 2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]phenyl]-2-methylpropanoate;hydrochloride
CID 69070383
1-hydroxy-4-[3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]phenoxy]-4-methylpentan-3-one
CID 67962826
N-[1-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]-2-methoxyacetamide
CID 6488653

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
The IUPAC name of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide (CID 69069753) is 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide.
What is the SMILES notation for 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
The canonical SMILES for 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide is COc1nc(NCCc2c(F)cccc2Cl)cc(-c2ccc(=O)n(CC(=O)NN)c2)n1.
What is the InChIKey of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
The InChIKey is CEOYHELFPOBVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN6O3/c1-31-20-25-16(12-5-6-19(30)28(10-12)11-18(29)27-23)9-17(26-20)24-8-7-13-14(21)3-2-4-15(13)22/h2-6,9-10H,7-8,11,23H2,1H3,(H,27,29)(H,24,25,26).
What are the key properties of 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide?
2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide has a molecular weight of 446.87 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-[2-(2-chloro-6-fluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-2-oxo-1-pyridinyl]acetohydrazide is sourced from PubChem (CID 69069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).