ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate

C25H28N4O3 — CID 95092578

IUPACethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)c1
InChIInChI=1S/C25H28N4O3/c1-4-32-25(31)18-8-5-9-19(13-18)28-22-20-11-10-17(3)27-23(20)26-14-21(22)24(30)29-12-6-7-16(2)15-29/h5,8-11,13-14,16H,4,6-7,12,15H2,1-3H3,(H,26,27,28)/t16-/m1/s1
InChIKeyUXAUXRVACFJNGT-MRXNPFEDSA-N
MW432.52 g/mol
LogP4.73
Rot. Bonds5

About ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate

ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate (PubChem CID 95092578) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
PubChem CID95092578
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Nameethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate
SMILESCCOC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)c1
InChIInChI=1S/C25H28N4O3/c1-4-32-25(31)18-8-5-9-19(13-18)28-22-20-11-10-17(3)27-23(20)26-14-21(22)24(30)29-12-6-7-16(2)15-29/h5,8-11,13-14,16H,4,6-7,12,15H2,1-3H3,(H,26,27,28)/t16-/m1/s1
InChIKeyUXAUXRVACFJNGT-MRXNPFEDSA-N
XLogP4.73
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092576
[4-(3-ethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064141
ethyl 4-[[7-methyl-3-(piperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53132211
[4-(4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 53132281
[4-(3-chloro-4-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 95092536
2-fluoro-5-[[7-methyl-3-(3-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]benzonitrile;hydrochloride
CID 146064161
[7-methyl-4-(3-methylsulfanylanilino)-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064211
[4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064188
[7-methyl-4-[3-(trifluoromethyl)anilino]-1,8-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 146063718
[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-[[3-(azepane-1-carbonyl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzamide;hydrochloride
CID 146063892

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate?
The IUPAC name of ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate (CID 95092578) is ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate?
The canonical SMILES for ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate is CCOC(=O)c1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)c1.
What is the InChIKey of ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate?
The InChIKey is UXAUXRVACFJNGT-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-4-32-25(31)18-8-5-9-19(13-18)28-22-20-11-10-17(3)27-23(20)26-14-21(22)24(30)29-12-6-7-16(2)15-29/h5,8-11,13-14,16H,4,6-7,12,15H2,1-3H3,(H,26,27,28)/t16-/m1/s1.
What are the key properties of ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate?
ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate has a molecular weight of 432.52 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[7-methyl-3-[(3R)-3-methylpiperidine-1-carbonyl]-1,8-naphthyridin-4-yl]amino]benzoate is sourced from PubChem (CID 95092578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).