1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide

C23H18N6O3 — CID 71217335

IUPAC1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2c(-c3ncco3)n(-c3ccccc3)c3ncccc3c2=O)cn1
InChIInChI=1S/C23H18N6O3/c1-28-14-15(12-27-28)22(31)26-13-18-19(23-25-10-11-32-23)29(16-6-3-2-4-7-16)21-17(20(18)30)8-5-9-24-21/h2-12,14H,13H2,1H3,(H,26,31)
InChIKeyYXWXHCNPFBTTRB-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.70
Rot. Bonds5

About 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide (PubChem CID 71217335) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide
PubChem CID71217335
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC Name1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2c(-c3ncco3)n(-c3ccccc3)c3ncccc3c2=O)cn1
InChIInChI=1S/C23H18N6O3/c1-28-14-15(12-27-28)22(31)26-13-18-19(23-25-10-11-32-23)29(16-6-3-2-4-7-16)21-17(20(18)30)8-5-9-24-21/h2-12,14H,13H2,1H3,(H,26,31)
InChIKeyYXWXHCNPFBTTRB-UHFFFAOYSA-N
XLogP2.70
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide (CID 71217335) is 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2c(-c3ncco3)n(-c3ccccc3)c3ncccc3c2=O)cn1.
What is the InChIKey of 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is YXWXHCNPFBTTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c1-28-14-15(12-27-28)22(31)26-13-18-19(23-25-10-11-32-23)29(16-6-3-2-4-7-16)21-17(20(18)30)8-5-9-24-21/h2-12,14H,13H2,1H3,(H,26,31).
What are the key properties of 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(1,3-oxazol-2-yl)-4-oxo-1-phenyl-1,8-naphthyridin-3-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71217335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).