5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide

C21H22FN5O3 — CID 22346324

IUPAC5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(F)cc2)nc(N(C)C(=O)N(C)C)c2cccnc12
InChIInChI=1S/C21H22FN5O3/c1-26(2)21(29)27(3)19-15-6-5-11-23-16(15)18(30-4)17(25-19)20(28)24-12-13-7-9-14(22)10-8-13/h5-11H,12H2,1-4H3,(H,24,28)
InChIKeyIARZXNZFPWZZJH-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.83
Rot. Bonds5

About 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide

5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide (PubChem CID 22346324) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound Name5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide
PubChem CID22346324
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(F)cc2)nc(N(C)C(=O)N(C)C)c2cccnc12
InChIInChI=1S/C21H22FN5O3/c1-26(2)21(29)27(3)19-15-6-5-11-23-16(15)18(30-4)17(25-19)20(28)24-12-13-7-9-14(22)10-8-13/h5-11H,12H2,1-4H3,(H,24,28)
InChIKeyIARZXNZFPWZZJH-UHFFFAOYSA-N
XLogP2.83
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide (CID 22346324) is 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide is COc1c(C(=O)NCc2ccc(F)cc2)nc(N(C)C(=O)N(C)C)c2cccnc12.
What is the InChIKey of 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is IARZXNZFPWZZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-26(2)21(29)27(3)19-15-6-5-11-23-16(15)18(30-4)17(25-19)20(28)24-12-13-7-9-14(22)10-8-13/h5-11H,12H2,1-4H3,(H,24,28).
What are the key properties of 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide?
5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethylcarbamoyl(methyl)amino]-N-[(4-fluorophenyl)methyl]-8-methoxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 22346324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).