N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide

C22H20N4O3 — CID 59212292

IUPACN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3conc3C)ccc1C)c(=O)n2C
InChIInChI=1S/C22H20N4O3/c1-12-5-6-16(24-21(27)19-11-29-25-14(19)3)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28/h5-11H,1-4H3,(H,24,27)
InChIKeyHDZFYDMKUGKLRH-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.77
Rot. Bonds3

About N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 59212292) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID59212292
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)c3conc3C)ccc1C)c(=O)n2C
InChIInChI=1S/C22H20N4O3/c1-12-5-6-16(24-21(27)19-11-29-25-14(19)3)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28/h5-11H,1-4H3,(H,24,27)
InChIKeyHDZFYDMKUGKLRH-UHFFFAOYSA-N
XLogP3.77
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 44439506
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CID 44439507
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CID 44439517
CID 44439517
CID 6460006
CID 6460006
CID 163275771
CID 163275771
CID 164514255
CID 164514255
CID 164514265
CID 164514265
CID 164514269
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CID 164514271
CID 164514271
CID 164514272
CID 164514272

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 59212292) is N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3conc3C)ccc1C)c(=O)n2C.
What is the InChIKey of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is HDZFYDMKUGKLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-12-5-6-16(24-21(27)19-11-29-25-14(19)3)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28/h5-11H,1-4H3,(H,24,27).
What are the key properties of N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 59212292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).