N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

C17H24FN3O2 — CID 136515635

IUPACN-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H24FN3O2/c1-20-8-3-4-12-11-21(9-7-15(12)20)17(22)19-14-6-5-13(18)10-16(14)23-2/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyYFYJNVXWPALRDP-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.78
Rot. Bonds2

About N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (PubChem CID 136515635) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
PubChem CID136515635
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCOc1cc(F)ccc1NC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C17H24FN3O2/c1-20-8-3-4-12-11-21(9-7-15(12)20)17(22)19-14-6-5-13(18)10-16(14)23-2/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,19,22)
InChIKeyYFYJNVXWPALRDP-UHFFFAOYSA-N
XLogP2.78
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (CID 136515635) is N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is COc1cc(F)ccc1NC(=O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The InChIKey is YFYJNVXWPALRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-20-8-3-4-12-11-21(9-7-15(12)20)17(22)19-14-6-5-13(18)10-16(14)23-2/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methoxyphenyl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 136515635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).