ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate

C15H19N3O3 — CID 10017051

IUPACethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1N[C@@H](C)CO
InChIInChI=1S/C15H19N3O3/c1-4-21-15(20)12-7-16-14-11(6-5-9(2)18-14)13(12)17-10(3)8-19/h5-7,10,19H,4,8H2,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyCZEFWOWPRYPVTJ-JTQLQIEISA-N
MW289.34 g/mol
LogP1.91
Rot. Bonds5

About ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate

ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate (PubChem CID 10017051) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate
PubChem CID10017051
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Nameethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2nc(C)ccc2c1N[C@@H](C)CO
InChIInChI=1S/C15H19N3O3/c1-4-21-15(20)12-7-16-14-11(6-5-9(2)18-14)13(12)17-10(3)8-19/h5-7,10,19H,4,8H2,1-3H3,(H,16,17,18)/t10-/m0/s1
InChIKeyCZEFWOWPRYPVTJ-JTQLQIEISA-N
XLogP1.91
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(3-chloro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258432
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435
ethyl 4-(3-fluoro-4-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063486
ethyl 7-methyl-4-(4-phenoxyanilino)-1,8-naphthyridine-3-carboxylate
CID 19258365
propan-2-yl 4-(4-ethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 53132137
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401
ethyl 4-(5-chloro-2-methoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258344
propyl 4-anilino-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836366
ethyl 4-[4-[(4-chlorophenyl)methoxy]anilino]-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258349
ethyl 4-(2-chloro-5-nitroanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258474
propyl 4-(3,4-dimethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 50836411
propan-2-yl 4-(4-ethylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate;hydrochloride
CID 146063613

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate (CID 10017051) is ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2nc(C)ccc2c1N[C@@H](C)CO.
What is the InChIKey of ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate?
The InChIKey is CZEFWOWPRYPVTJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-21-15(20)12-7-16-14-11(6-5-9(2)18-14)13(12)17-10(3)8-19/h5-7,10,19H,4,8H2,1-3H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate?
ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2S)-1-hydroxypropan-2-yl]amino]-7-methyl-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 10017051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).