2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide

C19H18FN3OS — CID 90172953

IUPAC2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide
SMILESCCSc1nc2ccncc2c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c1-3-25-19-17(12(2)15-11-21-9-8-16(15)23-19)18(24)22-10-13-4-6-14(20)7-5-13/h4-9,11H,3,10H2,1-2H3,(H,22,24)
InChIKeyHJCPYENQILOOBX-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.12
Rot. Bonds5

About 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide

2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide (PubChem CID 90172953) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide
PubChem CID90172953
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide
SMILESCCSc1nc2ccncc2c(C)c1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C19H18FN3OS/c1-3-25-19-17(12(2)15-11-21-9-8-16(15)23-19)18(24)22-10-13-4-6-14(20)7-5-13/h4-9,11H,3,10H2,1-2H3,(H,22,24)
InChIKeyHJCPYENQILOOBX-UHFFFAOYSA-N
XLogP4.12
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-(trifluoromethyl)quinoline-3-carboxamide
CID 67134021
ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate
CID 86720181
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-6-hydroxy-4-methylquinoline-3-carboxamide
CID 67133503
N-[(4-fluorophenyl)methyl]-2,4-dimethylquinoline-3-carboxamide
CID 9046354
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-8-hydroxy-4-methylquinoline-3-carboxamide
CID 67133504
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
2-ethylsulfanyl-N-[(3-fluorophenyl)methyl]-4-methyl-6-[methyl(pyridin-3-yl)amino]pyridine-3-carboxamide
CID 56963341
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-6-[(3R)-3-methylmorpholin-4-yl]pyridine-3-carboxamide
CID 67286792
N-[(4-fluorophenyl)methyl]-2,3-dimethylpyridine-4-carboxamide
CID 110851337
N-[(4-fluorophenyl)methyl]-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 4309624
1-(4-fluorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372883
N-[(4-fluorophenyl)methyl]-4-propoxypyridine-3-carboxamide
CID 125490188

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide (CID 90172953) is 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide is CCSc1nc2ccncc2c(C)c1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide?
The InChIKey is HJCPYENQILOOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-3-25-19-17(12(2)15-11-21-9-8-16(15)23-19)18(24)22-10-13-4-6-14(20)7-5-13/h4-9,11H,3,10H2,1-2H3,(H,22,24).
What are the key properties of 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide?
2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[(4-fluorophenyl)methyl]-4-methyl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 90172953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).