N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide

C21H13Cl2FN4O — CID 15915118

IUPACN-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
SMILESCc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccc3F)nc2n1
InChIInChI=1S/C21H13Cl2FN4O/c1-11-25-10-12-9-14(18-15(22)6-4-7-16(18)23)20(27-19(12)26-11)28-21(29)13-5-2-3-8-17(13)24/h2-10H,1H3,(H,25,26,27,28,29)
InChIKeyMHQCIIVKNUASTJ-UHFFFAOYSA-N
MW427.27 g/mol
LogP5.70
Rot. Bonds3

About N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide

N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide (PubChem CID 15915118) has the molecular formula C21H13Cl2FN4O and a molecular weight of 427.27 g/mol. Its IUPAC name is N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
PubChem CID15915118
Molecular FormulaC21H13Cl2FN4O
Molecular Weight427.27 g/mol
Exact Mass426.05
IUPAC NameN-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide
SMILESCc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccc3F)nc2n1
InChIInChI=1S/C21H13Cl2FN4O/c1-11-25-10-12-9-14(18-15(22)6-4-7-16(18)23)20(27-19(12)26-11)28-21(29)13-5-2-3-8-17(13)24/h2-10H,1H3,(H,25,26,27,28,29)
InChIKeyMHQCIIVKNUASTJ-UHFFFAOYSA-N
XLogP5.70
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.27
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-3-methylurea
CID 12904737
1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-yl]urea
CID 66929485
1-tert-butyl-3-[2-(tert-butylcarbamoylamino)-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 10625317
N-(6-chloroquinolin-8-yl)-2-fluorobenzamide
CID 39975947
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 113018903
2-fluoro-N-[5-(6-methyl-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]benzamide
CID 58487360
1-[2-(2,1,3-benzothiadiazol-5-ylamino)-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-phenylurea
CID 15948874
2-chloro-N-(5-iodo-3-methyl-2-pyridinyl)benzamide
CID 21216463
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The IUPAC name of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide (CID 15915118) is N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide is Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)c3ccccc3F)nc2n1.
What is the InChIKey of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
The InChIKey is MHQCIIVKNUASTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN4O/c1-11-25-10-12-9-14(18-15(22)6-4-7-16(18)23)20(27-19(12)26-11)28-21(29)13-5-2-3-8-17(13)24/h2-10H,1H3,(H,25,26,27,28,29).
What are the key properties of N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide?
N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide has a molecular weight of 427.27 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dichlorophenyl)-2-methylpyrido[2,3-d]pyrimidin-7-yl]-2-fluorobenzamide is sourced from PubChem (CID 15915118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).