7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide

C21H27FN4O2 — CID 137363100

IUPAC7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3nc(N4CC(F)C4)ccc3c2)CC1
InChIInChI=1S/C21H27FN4O2/c1-21(2,28)15-4-6-17(7-5-15)24-20(27)14-9-13-3-8-18(25-19(13)23-10-14)26-11-16(22)12-26/h3,8-10,15-17,28H,4-7,11-12H2,1-2H3,(H,24,27)
InChIKeyLDADYUHMTCETQE-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.85
Rot. Bonds4

About 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide

7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 137363100) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
PubChem CID137363100
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3nc(N4CC(F)C4)ccc3c2)CC1
InChIInChI=1S/C21H27FN4O2/c1-21(2,28)15-4-6-17(7-5-15)24-20(27)14-9-13-3-8-18(25-19(13)23-10-14)26-11-16(22)12-26/h3,8-10,15-17,28H,4-7,11-12H2,1-2H3,(H,24,27)
InChIKeyLDADYUHMTCETQE-UHFFFAOYSA-N
XLogP2.85
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide (CID 137363100) is 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc3nc(N4CC(F)C4)ccc3c2)CC1.
What is the InChIKey of 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is LDADYUHMTCETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-21(2,28)15-4-6-17(7-5-15)24-20(27)14-9-13-3-8-18(25-19(13)23-10-14)26-11-16(22)12-26/h3,8-10,15-17,28H,4-7,11-12H2,1-2H3,(H,24,27).
What are the key properties of 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 137363100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).