1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea

C21H18N6O2 — CID 52943909

IUPAC1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea
SMILESCc1cncc(Oc2ccc(NC(=O)Nc3cc(C)nc4ncccc34)cc2)n1
InChIInChI=1S/C21H18N6O2/c1-13-10-18(17-4-3-9-23-20(17)25-13)27-21(28)26-15-5-7-16(8-6-15)29-19-12-22-11-14(2)24-19/h3-12H,1-2H3,(H2,23,25,26,27,28)
InChIKeyWMZSYYHJYNKMOW-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.47
Rot. Bonds4

About 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea

1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea (PubChem CID 52943909) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea
PubChem CID52943909
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea
SMILESCc1cncc(Oc2ccc(NC(=O)Nc3cc(C)nc4ncccc34)cc2)n1
InChIInChI=1S/C21H18N6O2/c1-13-10-18(17-4-3-9-23-20(17)25-13)27-21(28)26-15-5-7-16(8-6-15)29-19-12-22-11-14(2)24-19/h3-12H,1-2H3,(H2,23,25,26,27,28)
InChIKeyWMZSYYHJYNKMOW-UHFFFAOYSA-N
XLogP4.47
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea?
The IUPAC name of 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea (CID 52943909) is 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea?
The canonical SMILES for 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea is Cc1cncc(Oc2ccc(NC(=O)Nc3cc(C)nc4ncccc34)cc2)n1.
What is the InChIKey of 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea?
The InChIKey is WMZSYYHJYNKMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-13-10-18(17-4-3-9-23-20(17)25-13)27-21(28)26-15-5-7-16(8-6-15)29-19-12-22-11-14(2)24-19/h3-12H,1-2H3,(H2,23,25,26,27,28).
What are the key properties of 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea?
1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea has a molecular weight of 386.42 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,8-naphthyridin-4-yl)-3-[4-(6-methylpyrazin-2-yl)oxyphenyl]urea is sourced from PubChem (CID 52943909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).