1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide

C26H23BrN4O3 — CID 10186267

IUPAC1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(Br)cc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C26H23BrN4O3/c1-26(2,34)22-8-5-15(13-29-22)16-10-17(27)12-19(11-16)31-14-21(25(33)30-18-6-7-18)23(32)20-4-3-9-28-24(20)31/h3-5,8-14,18,34H,6-7H2,1-2H3,(H,30,33)
InChIKeyOMEIUKCPNCKPEY-UHFFFAOYSA-N
MW519.40 g/mol
LogP4.33
Rot. Bonds5

About 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 10186267) has the molecular formula C26H23BrN4O3 and a molecular weight of 519.40 g/mol. Its IUPAC name is 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID10186267
Molecular FormulaC26H23BrN4O3
Molecular Weight519.40 g/mol
Exact Mass518.10
IUPAC Name1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(Br)cc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1
InChIInChI=1S/C26H23BrN4O3/c1-26(2,34)22-8-5-15(13-29-22)16-10-17(27)12-19(11-16)31-14-21(25(33)30-18-6-7-18)23(32)20-4-3-9-28-24(20)31/h3-5,8-14,18,34H,6-7H2,1-2H3,(H,30,33)
InChIKeyOMEIUKCPNCKPEY-UHFFFAOYSA-N
XLogP4.33
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.40
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 10186267) is 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide is CC(C)(O)c1ccc(-c2cc(Br)cc(-n3cc(C(=O)NC4CC4)c(=O)c4cccnc43)c2)cn1.
What is the InChIKey of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is OMEIUKCPNCKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23BrN4O3/c1-26(2,34)22-8-5-15(13-29-22)16-10-17(27)12-19(11-16)31-14-21(25(33)30-18-6-7-18)23(32)20-4-3-9-28-24(20)31/h3-5,8-14,18,34H,6-7H2,1-2H3,(H,30,33).
What are the key properties of 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 519.40 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-cyclopropyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10186267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).