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

C17H19N5O2 — CID 169256461

IUPAC2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C17H19N5O2/c1-17(2,3)13-8-11(22(4)21-13)10-7-12(23)14-9(20-10)5-6-19-15(14)16(18)24/h5-8H,1-4H3,(H2,18,24)(H,20,23)
InChIKeyMGPQYQJXRMNBLE-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.72
Rot. Bonds2

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

2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169256461) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169256461
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C17H19N5O2/c1-17(2,3)13-8-11(22(4)21-13)10-7-12(23)14-9(20-10)5-6-19-15(14)16(18)24/h5-8H,1-4H3,(H2,18,24)(H,20,23)
InChIKeyMGPQYQJXRMNBLE-UHFFFAOYSA-N
XLogP1.72
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169256461) is 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cn1nc(C(C)(C)C)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is MGPQYQJXRMNBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-17(2,3)13-8-11(22(4)21-13)10-7-12(23)14-9(20-10)5-6-19-15(14)16(18)24/h5-8H,1-4H3,(H2,18,24)(H,20,23).
What are the key properties of 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1-methylpyrazol-5-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169256461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).