1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea

C20H20N6O2 — CID 156772694

IUPAC1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cc(C#N)ncc2C)cnc2ccc(C)nc12
InChIInChI=1S/C20H20N6O2/c1-11-9-22-14(8-21)7-16(11)25-20(27)26-17-10-23-15-6-5-12(2)24-19(15)18(17)13(3)28-4/h5-7,9-10,13H,1-4H3,(H2,22,25,26,27)
InChIKeyPGBZWPQKAXLVLV-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.86
Rot. Bonds4

About 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea

1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea (PubChem CID 156772694) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea.

Molecular Properties

Compound Name1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
PubChem CID156772694
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea
SMILESCOC(C)c1c(NC(=O)Nc2cc(C#N)ncc2C)cnc2ccc(C)nc12
InChIInChI=1S/C20H20N6O2/c1-11-9-22-14(8-21)7-16(11)25-20(27)26-17-10-23-15-6-5-12(2)24-19(15)18(17)13(3)28-4/h5-7,9-10,13H,1-4H3,(H2,22,25,26,27)
InChIKeyPGBZWPQKAXLVLV-UHFFFAOYSA-N
XLogP3.86
TPSA112.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea?
The IUPAC name of 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea (CID 156772694) is 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea.
What is the SMILES notation for 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea?
The canonical SMILES for 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea is COC(C)c1c(NC(=O)Nc2cc(C#N)ncc2C)cnc2ccc(C)nc12.
What is the InChIKey of 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea?
The InChIKey is PGBZWPQKAXLVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-11-9-22-14(8-21)7-16(11)25-20(27)26-17-10-23-15-6-5-12(2)24-19(15)18(17)13(3)28-4/h5-7,9-10,13H,1-4H3,(H2,22,25,26,27).
What are the key properties of 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea?
1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea has a molecular weight of 376.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-5-methyl-4-pyridinyl)-3-[4-(1-methoxyethyl)-6-methyl-1,5-naphthyridin-3-yl]urea is sourced from PubChem (CID 156772694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).