N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide

C20H17FN4O — CID 91949032

IUPACN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cncc2cccnc12
InChIInChI=1S/C20H17FN4O/c1-12-15(16-9-14(21)4-5-18(16)25-12)6-8-24-20(26)17-11-22-10-13-3-2-7-23-19(13)17/h2-5,7,9-11,25H,6,8H2,1H3,(H,24,26)
InChIKeyGBVUFHUPBQOFGO-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.53
Rot. Bonds4

About N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide (PubChem CID 91949032) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide
PubChem CID91949032
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cncc2cccnc12
InChIInChI=1S/C20H17FN4O/c1-12-15(16-9-14(21)4-5-18(16)25-12)6-8-24-20(26)17-11-22-10-13-3-2-7-23-19(13)17/h2-5,7,9-11,25H,6,8H2,1H3,(H,24,26)
InChIKeyGBVUFHUPBQOFGO-UHFFFAOYSA-N
XLogP3.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
N-(2-methylpropyl)-1,6-naphthyridine-8-carboxamide
CID 91949075
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-3-ylacetamide
CID 3655714
1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-3-phenylthiourea
CID 43952983
N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanamine
CID 82494090
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]prop-2-ene-1-sulfonamide
CID 91956047
N-(2-morpholin-4-ylethyl)-1,6-naphthyridine-8-carboxamide
CID 91949050
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]propan-2-amine
CID 82496402

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide (CID 91949032) is N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide is Cc1[nH]c2ccc(F)cc2c1CCNC(=O)c1cncc2cccnc12.
What is the InChIKey of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide?
The InChIKey is GBVUFHUPBQOFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-12-15(16-9-14(21)4-5-18(16)25-12)6-8-24-20(26)17-11-22-10-13-3-2-7-23-19(13)17/h2-5,7,9-11,25H,6,8H2,1H3,(H,24,26).
What are the key properties of N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide?
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 91949032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).