tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate

C23H24N6O3 — CID 170968346

IUPACtert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)OC(C)(C)C)cc3n3ncnc23)cn1
InChIInChI=1S/C23H24N6O3/c1-6-19(30)17-7-13(2)16(11-24-17)15-8-14-10-25-20(28-22(31)32-23(3,4)5)9-18(14)29-21(15)26-12-27-29/h7-12H,6H2,1-5H3,(H,25,28,31)
InChIKeyVDBQBQMAFRXIQN-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.59
Rot. Bonds4

About tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate

tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate (PubChem CID 170968346) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate
PubChem CID170968346
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Nametert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate
SMILESCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)OC(C)(C)C)cc3n3ncnc23)cn1
InChIInChI=1S/C23H24N6O3/c1-6-19(30)17-7-13(2)16(11-24-17)15-8-14-10-25-20(28-22(31)32-23(3,4)5)9-18(14)29-21(15)26-12-27-29/h7-12H,6H2,1-5H3,(H,25,28,31)
InChIKeyVDBQBQMAFRXIQN-UHFFFAOYSA-N
XLogP4.59
TPSA111.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate (CID 170968346) is tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate is CCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)OC(C)(C)C)cc3n3ncnc23)cn1.
What is the InChIKey of tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate?
The InChIKey is VDBQBQMAFRXIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-6-19(30)17-7-13(2)16(11-24-17)15-8-14-10-25-20(28-22(31)32-23(3,4)5)9-18(14)29-21(15)26-12-27-29/h7-12H,6H2,1-5H3,(H,25,28,31).
What are the key properties of tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate?
tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate has a molecular weight of 432.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-methyl-6-propanoyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]carbamate is sourced from PubChem (CID 170968346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).