2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C22H23FN4O3 — CID 146469032

IUPAC2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C22H23FN4O3/c1-14-18(21(25-30-14)15-4-7-17(23)8-5-15)13-29-20-9-6-16-12-27(22(28)26(2)3)11-10-19(16)24-20/h4-9H,10-13H2,1-3H3
InChIKeyNHAVPZBYCXDYLA-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.80
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146469032) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146469032
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N(C)C)C2
InChIInChI=1S/C22H23FN4O3/c1-14-18(21(25-30-14)15-4-7-17(23)8-5-15)13-29-20-9-6-16-12-27(22(28)26(2)3)11-10-19(16)24-20/h4-9H,10-13H2,1-3H3
InChIKeyNHAVPZBYCXDYLA-UHFFFAOYSA-N
XLogP3.80
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146469032) is 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1onc(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)N(C)C)C2.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is NHAVPZBYCXDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-14-18(21(25-30-14)15-4-7-17(23)8-5-15)13-29-20-9-6-16-12-27(22(28)26(2)3)11-10-19(16)24-20/h4-9H,10-13H2,1-3H3.
What are the key properties of 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146469032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).