7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

C17H17F2N3O4S — CID 139320885

IUPAC7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESCOc1cc(N2CCc3cc(C(=O)NS(C)(=O)=O)ncc3C2)cc(F)c1F
InChIInChI=1S/C17H17F2N3O4S/c1-26-15-7-12(6-13(18)16(15)19)22-4-3-10-5-14(20-8-11(10)9-22)17(23)21-27(2,24)25/h5-8H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyAPKKMOXKXPNPKH-UHFFFAOYSA-N
MW397.40 g/mol
LogP1.62
Rot. Bonds4

About 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide

7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (PubChem CID 139320885) has the molecular formula C17H17F2N3O4S and a molecular weight of 397.40 g/mol. Its IUPAC name is 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
PubChem CID139320885
Molecular FormulaC17H17F2N3O4S
Molecular Weight397.40 g/mol
Exact Mass397.09
IUPAC Name7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
SMILESCOc1cc(N2CCc3cc(C(=O)NS(C)(=O)=O)ncc3C2)cc(F)c1F
InChIInChI=1S/C17H17F2N3O4S/c1-26-15-7-12(6-13(18)16(15)19)22-4-3-10-5-14(20-8-11(10)9-22)17(23)21-27(2,24)25/h5-8H,3-4,9H2,1-2H3,(H,21,23)
InChIKeyAPKKMOXKXPNPKH-UHFFFAOYSA-N
XLogP1.62
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The IUPAC name of 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide (CID 139320885) is 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The canonical SMILES for 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is COc1cc(N2CCc3cc(C(=O)NS(C)(=O)=O)ncc3C2)cc(F)c1F.
What is the InChIKey of 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
The InChIKey is APKKMOXKXPNPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O4S/c1-26-15-7-12(6-13(18)16(15)19)22-4-3-10-5-14(20-8-11(10)9-22)17(23)21-27(2,24)25/h5-8H,3-4,9H2,1-2H3,(H,21,23).
What are the key properties of 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide?
7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide has a molecular weight of 397.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluoro-5-methoxyphenyl)-N-methylsulfonyl-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 139320885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).