methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride

C22H20ClN5O3 — CID 146064436

IUPACmethyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1Nc1c(-c2nc(C3CC3)no2)cnc2nc(C)ccc12.Cl
InChIInChI=1S/C22H19N5O3.ClH/c1-12-7-10-15-18(25-17-6-4-3-5-14(17)22(28)29-2)16(11-23-20(15)24-12)21-26-19(27-30-21)13-8-9-13;/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,24,25);1H
InChIKeyKXBWVAPHVSVJTL-UHFFFAOYSA-N
MW437.89 g/mol
LogP4.82
Rot. Bonds5

About methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride

methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride (PubChem CID 146064436) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride
PubChem CID146064436
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Namemethyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1Nc1c(-c2nc(C3CC3)no2)cnc2nc(C)ccc12.Cl
InChIInChI=1S/C22H19N5O3.ClH/c1-12-7-10-15-18(25-17-6-4-3-5-14(17)22(28)29-2)16(11-23-20(15)24-12)21-26-19(27-30-21)13-8-9-13;/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,24,25);1H
InChIKeyKXBWVAPHVSVJTL-UHFFFAOYSA-N
XLogP4.82
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-amine
CID 53178418
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(3,4-dimethoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-amine
CID 53178425
methyl 3-[[7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-yl]amino]benzoate
CID 53178349
methyl 4-(2-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132045
methyl 4-(2-iodoanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132018
methyl 4-(3-chloro-2-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132064
methyl 4-(3-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132023
7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3-methylphenyl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064357
methyl 4-(4-bromo-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063450
N-(3-fluorophenyl)-7-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-1,8-naphthyridin-4-amine;hydrochloride
CID 146064374
methyl 4-(3-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063443
methyl 4-(3-fluoroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132008

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride?
The IUPAC name of methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride (CID 146064436) is methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride?
The canonical SMILES for methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride is COC(=O)c1ccccc1Nc1c(-c2nc(C3CC3)no2)cnc2nc(C)ccc12.Cl.
What is the InChIKey of methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride?
The InChIKey is KXBWVAPHVSVJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3.ClH/c1-12-7-10-15-18(25-17-6-4-3-5-14(17)22(28)29-2)16(11-23-20(15)24-12)21-26-19(27-30-21)13-8-9-13;/h3-7,10-11,13H,8-9H2,1-2H3,(H,23,24,25);1H.
What are the key properties of methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride?
methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride has a molecular weight of 437.89 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-7-methyl-1,8-naphthyridin-4-yl]amino]benzoate;hydrochloride is sourced from PubChem (CID 146064436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).