5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide

C21H24FN7O — CID 129192285

IUPAC5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
SMILESCNC1CCCCC1Nc1nc(Nc2ccnc3ncccc23)c(C(N)=O)cc1F
InChIInChI=1S/C21H24FN7O/c1-24-16-6-2-3-7-17(16)28-21-14(22)11-13(18(23)30)20(29-21)27-15-8-10-26-19-12(15)5-4-9-25-19/h4-5,8-11,16-17,24H,2-3,6-7H2,1H3,(H2,23,30)(H2,25,26,27,28,29)
InChIKeyJZLCQDLDNJMCTD-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.95
Rot. Bonds6

About 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide

5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide (PubChem CID 129192285) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
PubChem CID129192285
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
SMILESCNC1CCCCC1Nc1nc(Nc2ccnc3ncccc23)c(C(N)=O)cc1F
InChIInChI=1S/C21H24FN7O/c1-24-16-6-2-3-7-17(16)28-21-14(22)11-13(18(23)30)20(29-21)27-15-8-10-26-19-12(15)5-4-9-25-19/h4-5,8-11,16-17,24H,2-3,6-7H2,1H3,(H2,23,30)(H2,25,26,27,28,29)
InChIKeyJZLCQDLDNJMCTD-UHFFFAOYSA-N
XLogP2.95
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide (CID 129192285) is 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide is CNC1CCCCC1Nc1nc(Nc2ccnc3ncccc23)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide?
The InChIKey is JZLCQDLDNJMCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-24-16-6-2-3-7-17(16)28-21-14(22)11-13(18(23)30)20(29-21)27-15-8-10-26-19-12(15)5-4-9-25-19/h4-5,8-11,16-17,24H,2-3,6-7H2,1H3,(H2,23,30)(H2,25,26,27,28,29).
What are the key properties of 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide?
5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 129192285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).