4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride

C23H26ClN5O2 — CID 146063892

IUPAC4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
SMILESCc1ccc2c(Nc3ccc(C(N)=O)cc3)c(C(=O)N3CCCCCC3)cnc2n1.Cl
InChIInChI=1S/C23H25N5O2.ClH/c1-15-6-11-18-20(27-17-9-7-16(8-10-17)21(24)29)19(14-25-22(18)26-15)23(30)28-12-4-2-3-5-13-28;/h6-11,14H,2-5,12-13H2,1H3,(H2,24,29)(H,25,26,27);1H
InChIKeyBPOUEGVIPVTEEE-UHFFFAOYSA-N
MW439.95 g/mol
LogP4.22
Rot. Bonds4

About 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride

4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride (PubChem CID 146063892) has the molecular formula C23H26ClN5O2 and a molecular weight of 439.95 g/mol. Its IUPAC name is 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
PubChem CID146063892
Molecular FormulaC23H26ClN5O2
Molecular Weight439.95 g/mol
Exact Mass439.18
IUPAC Name4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
SMILESCc1ccc2c(Nc3ccc(C(N)=O)cc3)c(C(=O)N3CCCCCC3)cnc2n1.Cl
InChIInChI=1S/C23H25N5O2.ClH/c1-15-6-11-18-20(27-17-9-7-16(8-10-17)21(24)29)19(14-25-22(18)26-15)23(30)28-12-4-2-3-5-13-28;/h6-11,14H,2-5,12-13H2,1H3,(H2,24,29)(H,25,26,27);1H
InChIKeyBPOUEGVIPVTEEE-UHFFFAOYSA-N
XLogP4.22
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[7-methyl-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-yl]amino]benzamide
CID 53132253
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
[4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063801
azepan-1-yl-[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146063835
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063793
[4-(3-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 146063816
4-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile
CID 53132181
[4-(4-bromo-3-methylanilino)-7-methyl-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
CID 53132213
2-fluoro-5-[[7-methyl-3-(pyrrolidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146063790
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
[4-(4-chloroanilino)-7-methyl-1,8-naphthyridin-3-yl]-thiomorpholin-4-ylmethanone;hydrochloride
CID 146063957
[7-methyl-4-(4-propan-2-ylanilino)-1,8-naphthyridin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 146063932

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride?
The IUPAC name of 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride (CID 146063892) is 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride.
What is the SMILES notation for 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride?
The canonical SMILES for 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride is Cc1ccc2c(Nc3ccc(C(N)=O)cc3)c(C(=O)N3CCCCCC3)cnc2n1.Cl.
What is the InChIKey of 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride?
The InChIKey is BPOUEGVIPVTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.ClH/c1-15-6-11-18-20(27-17-9-7-16(8-10-17)21(24)29)19(14-25-22(18)26-15)23(30)28-12-4-2-3-5-13-28;/h6-11,14H,2-5,12-13H2,1H3,(H2,24,29)(H,25,26,27);1H.
What are the key properties of 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride?
4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride has a molecular weight of 439.95 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride is sourced from PubChem (CID 146063892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).