4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

C20H17BrClFN4O2 — CID 118211190

IUPAC4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1Br
InChIInChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyOUBQQWXHNONJNU-UHFFFAOYSA-N
MW479.74 g/mol
LogP4.55
Rot. Bonds6

About 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide

4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (PubChem CID 118211190) has the molecular formula C20H17BrClFN4O2 and a molecular weight of 479.74 g/mol. Its IUPAC name is 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
PubChem CID118211190
Molecular FormulaC20H17BrClFN4O2
Molecular Weight479.74 g/mol
Exact Mass478.02
IUPAC Name4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide
SMILESCC(O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1Br
InChIInChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27)
InChIKeyOUBQQWXHNONJNU-UHFFFAOYSA-N
XLogP4.55
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.74
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The IUPAC name of 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide (CID 118211190) is 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is CC(O)CNC(=O)c1cnccc1Nc1cc(-c2cc(Cl)ccc2F)ncc1Br.
What is the InChIKey of 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
The InChIKey is OUBQQWXHNONJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClFN4O2/c1-11(28)8-26-20(29)14-9-24-5-4-17(14)27-19-7-18(25-10-15(19)21)13-6-12(22)2-3-16(13)23/h2-7,9-11,28H,8H2,1H3,(H,26,29)(H,24,25,27).
What are the key properties of 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide?
4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide has a molecular weight of 479.74 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-2-(5-chloro-2-fluorophenyl)-4-pyridinyl]amino]-N-(2-hydroxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 118211190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).