1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea

C19H23N7OS — CID 138589554

IUPAC1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea
SMILESCc1nnc(-c2cnc3cnc(NC(=O)N(C)C4CCN(C)CC4)cc3c2)s1
InChIInChI=1S/C19H23N7OS/c1-12-23-24-18(28-12)14-8-13-9-17(21-11-16(13)20-10-14)22-19(27)26(3)15-4-6-25(2)7-5-15/h8-11,15H,4-7H2,1-3H3,(H,21,22,27)
InChIKeyYLWOFENEPKMPOB-UHFFFAOYSA-N
MW397.51 g/mol
LogP3.01
Rot. Bonds3

About 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea

1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea (PubChem CID 138589554) has the molecular formula C19H23N7OS and a molecular weight of 397.51 g/mol. Its IUPAC name is 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea
PubChem CID138589554
Molecular FormulaC19H23N7OS
Molecular Weight397.51 g/mol
Exact Mass397.17
IUPAC Name1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea
SMILESCc1nnc(-c2cnc3cnc(NC(=O)N(C)C4CCN(C)CC4)cc3c2)s1
InChIInChI=1S/C19H23N7OS/c1-12-23-24-18(28-12)14-8-13-9-17(21-11-16(13)20-10-14)22-19(27)26(3)15-4-6-25(2)7-5-15/h8-11,15H,4-7H2,1-3H3,(H,21,22,27)
InChIKeyYLWOFENEPKMPOB-UHFFFAOYSA-N
XLogP3.01
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea?
The IUPAC name of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea (CID 138589554) is 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea.
What is the SMILES notation for 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea?
The canonical SMILES for 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea is Cc1nnc(-c2cnc3cnc(NC(=O)N(C)C4CCN(C)CC4)cc3c2)s1.
What is the InChIKey of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea?
The InChIKey is YLWOFENEPKMPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7OS/c1-12-23-24-18(28-12)14-8-13-9-17(21-11-16(13)20-10-14)22-19(27)26(3)15-4-6-25(2)7-5-15/h8-11,15H,4-7H2,1-3H3,(H,21,22,27).
What are the key properties of 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea?
1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea has a molecular weight of 397.51 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylpiperidin-4-yl)-3-[3-(5-methyl-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]urea is sourced from PubChem (CID 138589554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).