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

C21H21FN4O2S — CID 71012625

IUPACN-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCSCC2)c2cccnc12
InChIInChI=1S/C21H21FN4O2S/c1-28-19-17-16(3-2-8-23-17)20(26-9-11-29-12-10-26)25-18(19)21(27)24-13-14-4-6-15(22)7-5-14/h2-8H,9-13H2,1H3,(H,24,27)
InChIKeyGASFLBHUOVDIBA-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.26
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide (PubChem CID 71012625) has the molecular formula C21H21FN4O2S and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide
PubChem CID71012625
Molecular FormulaC21H21FN4O2S
Molecular Weight412.49 g/mol
Exact Mass412.14
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide
SMILESCOc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCSCC2)c2cccnc12
InChIInChI=1S/C21H21FN4O2S/c1-28-19-17-16(3-2-8-23-17)20(26-9-11-29-12-10-26)25-18(19)21(27)24-13-14-4-6-15(22)7-5-14/h2-8H,9-13H2,1H3,(H,24,27)
InChIKeyGASFLBHUOVDIBA-UHFFFAOYSA-N
XLogP3.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide (CID 71012625) is N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide is COc1c(C(=O)NCc2ccc(F)cc2)nc(N2CCSCC2)c2cccnc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide?
The InChIKey is GASFLBHUOVDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2S/c1-28-19-17-16(3-2-8-23-17)20(26-9-11-29-12-10-26)25-18(19)21(27)24-13-14-4-6-15(22)7-5-14/h2-8H,9-13H2,1H3,(H,24,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide?
N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methoxy-5-thiomorpholin-4-yl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 71012625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).