2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C19H21N5O2 — CID 169256802

IUPAC2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1nc(C(C)(C)C)c(C)nc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C19H21N5O2/c1-9-15(22-10(2)17(23-9)19(3,4)5)12-8-13(25)14-11(24-12)6-7-21-16(14)18(20)26/h6-8H,1-5H3,(H2,20,26)(H,24,25)
InChIKeyREBMYOXHPNYSKV-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds2

About 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169256802) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169256802
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1nc(C(C)(C)C)c(C)nc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C19H21N5O2/c1-9-15(22-10(2)17(23-9)19(3,4)5)12-8-13(25)14-11(24-12)6-7-21-16(14)18(20)26/h6-8H,1-5H3,(H2,20,26)(H,24,25)
InChIKeyREBMYOXHPNYSKV-UHFFFAOYSA-N
XLogP2.39
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169256802) is 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1nc(C(C)(C)C)c(C)nc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is REBMYOXHPNYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-9-15(22-10(2)17(23-9)19(3,4)5)12-8-13(25)14-11(24-12)6-7-21-16(14)18(20)26/h6-8H,1-5H3,(H2,20,26)(H,24,25).
What are the key properties of 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169256802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).