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

C23H23ClFN5O — CID 146064161

IUPAC2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC(C)C3)cnc2n1.Cl
InChIInChI=1S/C23H22FN5O.ClH/c1-14-4-3-9-29(13-14)23(30)19-12-26-22-18(7-5-15(2)27-22)21(19)28-17-6-8-20(24)16(10-17)11-25;/h5-8,10,12,14H,3-4,9,13H2,1-2H3,(H,26,27,28);1H
InChIKeyLYHDECDLQUAOMN-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.99
Rot. Bonds3

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

2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride (PubChem CID 146064161) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
PubChem CID146064161
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
SMILESCc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC(C)C3)cnc2n1.Cl
InChIInChI=1S/C23H22FN5O.ClH/c1-14-4-3-9-29(13-14)23(30)19-12-26-22-18(7-5-15(2)27-22)21(19)28-17-6-8-20(24)16(10-17)11-25;/h5-8,10,12,14H,3-4,9,13H2,1-2H3,(H,26,27,28);1H
InChIKeyLYHDECDLQUAOMN-UHFFFAOYSA-N
XLogP4.99
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092536
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
[4-(3,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064202
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064141
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092576
ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
CID 95092578
4-(3-cyano-4-fluoroanilino)-N,N-diethyl-7-methyl-1,8-naphthyridine-3-carboxamide;hydrochloride
CID 146064292
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-fluoro-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063945
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
The IUPAC name of 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride (CID 146064161) is 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride.
What is the SMILES notation for 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
The canonical SMILES for 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride is Cc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCCC(C)C3)cnc2n1.Cl.
What is the InChIKey of 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
The InChIKey is LYHDECDLQUAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O.ClH/c1-14-4-3-9-29(13-14)23(30)19-12-26-22-18(7-5-15(2)27-22)21(19)28-17-6-8-20(24)16(10-17)11-25;/h5-8,10,12,14H,3-4,9,13H2,1-2H3,(H,26,27,28);1H.
What are the key properties of 2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride?
2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride has a molecular weight of 439.92 g/mol, XLogP of 4.99, 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-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride is sourced from PubChem (CID 146064161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).