4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

C20H24FN7O — CID 138586867

IUPAC4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-n4nccn4)cnc3cn2)CC1
InChIInChI=1S/C20H24FN7O/c1-14(2)13-27-7-3-20(21,4-8-27)19(29)26-18-10-15-9-16(28-24-5-6-25-28)11-22-17(15)12-23-18/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,26,29)
InChIKeyHDJIXWPSTCUXHM-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.61
Rot. Bonds5

About 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide

4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (PubChem CID 138586867) has the molecular formula C20H24FN7O and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
PubChem CID138586867
Molecular FormulaC20H24FN7O
Molecular Weight397.46 g/mol
Exact Mass397.20
IUPAC Name4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide
SMILESCC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-n4nccn4)cnc3cn2)CC1
InChIInChI=1S/C20H24FN7O/c1-14(2)13-27-7-3-20(21,4-8-27)19(29)26-18-10-15-9-16(28-24-5-6-25-28)11-22-17(15)12-23-18/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,26,29)
InChIKeyHDJIXWPSTCUXHM-UHFFFAOYSA-N
XLogP2.61
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The IUPAC name of 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide (CID 138586867) is 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is CC(C)CN1CCC(F)(C(=O)Nc2cc3cc(-n4nccn4)cnc3cn2)CC1.
What is the InChIKey of 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
The InChIKey is HDJIXWPSTCUXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7O/c1-14(2)13-27-7-3-20(21,4-8-27)19(29)26-18-10-15-9-16(28-24-5-6-25-28)11-22-17(15)12-23-18/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,23,26,29).
What are the key properties of 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide?
4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(2-methylpropyl)-N-[3-(triazol-2-yl)-1,7-naphthyridin-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138586867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).