4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide

C19H19ClFN3O3 — CID 139348036

IUPAC4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cc(NC(=O)Cc3cc(Cl)c(F)cc3O)ccn2)CCC1
InChIInChI=1S/C19H19ClFN3O3/c1-19(4-2-5-19)24-18(27)15-9-12(3-6-22-15)23-17(26)8-11-7-13(20)14(21)10-16(11)25/h3,6-7,9-10,25H,2,4-5,8H2,1H3,(H,24,27)(H,22,23,26)
InChIKeyBKSYNTRTEIEOBK-UHFFFAOYSA-N
MW391.83 g/mol
LogP3.43
Rot. Bonds5

About 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide

4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide (PubChem CID 139348036) has the molecular formula C19H19ClFN3O3 and a molecular weight of 391.83 g/mol. Its IUPAC name is 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
PubChem CID139348036
Molecular FormulaC19H19ClFN3O3
Molecular Weight391.83 g/mol
Exact Mass391.11
IUPAC Name4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cc(NC(=O)Cc3cc(Cl)c(F)cc3O)ccn2)CCC1
InChIInChI=1S/C19H19ClFN3O3/c1-19(4-2-5-19)24-18(27)15-9-12(3-6-22-15)23-17(26)8-11-7-13(20)14(21)10-16(11)25/h3,6-7,9-10,25H,2,4-5,8H2,1H3,(H,24,27)(H,22,23,26)
InChIKeyBKSYNTRTEIEOBK-UHFFFAOYSA-N
XLogP3.43
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.83
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide (CID 139348036) is 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide is CC1(NC(=O)c2cc(NC(=O)Cc3cc(Cl)c(F)cc3O)ccn2)CCC1.
What is the InChIKey of 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
The InChIKey is BKSYNTRTEIEOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O3/c1-19(4-2-5-19)24-18(27)15-9-12(3-6-22-15)23-17(26)8-11-7-13(20)14(21)10-16(11)25/h3,6-7,9-10,25H,2,4-5,8H2,1H3,(H,24,27)(H,22,23,26).
What are the key properties of 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide?
4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide has a molecular weight of 391.83 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloro-4-fluoro-2-hydroxyphenyl)acetyl]amino]-N-(1-methylcyclobutyl)pyridine-2-carboxamide is sourced from PubChem (CID 139348036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).