2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride

C21H19ClFN5O — CID 146063790

IUPAC2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC3)cnc2n1.Cl
InChIInChI=1S/C21H18FN5O.ClH/c1-13-4-6-16-19(26-15-5-7-18(22)14(10-15)11-23)17(12-24-20(16)25-13)21(28)27-8-2-3-9-27;/h4-7,10,12H,2-3,8-9H2,1H3,(H,24,25,26);1H
InChIKeyQXNNIGFVMZZCNH-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.35
Rot. Bonds3

About 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride

2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride (PubChem CID 146063790) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 g/mol. Its IUPAC name is 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
PubChem CID146063790
Molecular FormulaC21H19ClFN5O
Molecular Weight411.87 g/mol
Exact Mass411.13
IUPAC Name2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC3)cnc2n1.Cl
InChIInChI=1S/C21H18FN5O.ClH/c1-13-4-6-16-19(26-15-5-7-18(22)14(10-15)11-23)17(12-24-20(16)25-13)21(28)27-8-2-3-9-27;/h4-7,10,12H,2-3,8-9H2,1H3,(H,24,25,26);1H
InChIKeyQXNNIGFVMZZCNH-UHFFFAOYSA-N
XLogP4.35
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride with MolForge

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Related Compounds

2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146064161
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064292
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
The IUPAC name of 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride (CID 146063790) is 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride.
What is the SMILES notation for 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
The canonical SMILES for 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride is Cc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC3)cnc2n1.Cl.
What is the InChIKey of 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
The InChIKey is QXNNIGFVMZZCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O.ClH/c1-13-4-6-16-19(26-15-5-7-18(22)14(10-15)11-23)17(12-24-20(16)25-13)21(28)27-8-2-3-9-27;/h4-7,10,12H,2-3,8-9H2,1H3,(H,24,25,26);1H.
What are the key properties of 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride has a molecular weight of 411.87 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride is sourced from PubChem (CID 146063790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).