4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide

C18H18F2N6O — CID 138588625

IUPAC4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCC(F)(F)CC4)cc3n2)nn1
InChIInChI=1S/C18H18F2N6O/c1-26-10-15(24-25-26)13-3-2-12-9-21-16(8-14(12)22-13)23-17(27)11-4-6-18(19,20)7-5-11/h2-3,8-11H,4-7H2,1H3,(H,21,23,27)
InChIKeyJRXXAVVOGIOPOY-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.19
Rot. Bonds3

About 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide

4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide (PubChem CID 138588625) has the molecular formula C18H18F2N6O and a molecular weight of 372.38 g/mol. Its IUPAC name is 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
PubChem CID138588625
Molecular FormulaC18H18F2N6O
Molecular Weight372.38 g/mol
Exact Mass372.15
IUPAC Name4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCC(F)(F)CC4)cc3n2)nn1
InChIInChI=1S/C18H18F2N6O/c1-26-10-15(24-25-26)13-3-2-12-9-21-16(8-14(12)22-13)23-17(27)11-4-6-18(19,20)7-5-11/h2-3,8-11H,4-7H2,1H3,(H,21,23,27)
InChIKeyJRXXAVVOGIOPOY-UHFFFAOYSA-N
XLogP3.19
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138592093
2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590656
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
2-N-methyl-5-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138591714
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
4,4-difluoro-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
CID 138591258
2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 158912241
1-(2-methylpropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-3-carboxamide
CID 138588767
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-2-carboxamide
CID 138589589
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide (CID 138588625) is 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)C4CCC(F)(F)CC4)cc3n2)nn1.
What is the InChIKey of 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
The InChIKey is JRXXAVVOGIOPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N6O/c1-26-10-15(24-25-26)13-3-2-12-9-21-16(8-14(12)22-13)23-17(27)11-4-6-18(19,20)7-5-11/h2-3,8-11H,4-7H2,1H3,(H,21,23,27).
What are the key properties of 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138588625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).