ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate

C19H24N2O3 — CID 110453095

IUPACethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NCc2ccccc2OC(C)(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-5-23-18(22)15-10-16(13-20-11-15)21-12-14-8-6-7-9-17(14)24-19(2,3)4/h6-11,13,21H,5,12H2,1-4H3
InChIKeyQJQGUYYYHKOCTL-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.05
Rot. Bonds6

About ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate

ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate (PubChem CID 110453095) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate
PubChem CID110453095
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(NCc2ccccc2OC(C)(C)C)c1
InChIInChI=1S/C19H24N2O3/c1-5-23-18(22)15-10-16(13-20-11-15)21-12-14-8-6-7-9-17(14)24-19(2,3)4/h6-11,13,21H,5,12H2,1-4H3
InChIKeyQJQGUYYYHKOCTL-UHFFFAOYSA-N
XLogP4.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(tert-butylamino)pyridine-3-carboxylate
CID 82535159
ethyl 5-[(4-methoxycarbonylphenyl)methylamino]pyridine-3-carboxylate
CID 110453092
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
ethyl 4-[(2-methoxyphenyl)methylamino]benzoate
CID 2238269
ethyl 5-hydrazinylpyridine-3-carboxylate
CID 112757253
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
N-ethyl-5-[(2-methoxyphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109234311
ethyl 5-(3-chloroanilino)pyridine-3-carboxylate
CID 82535073
N-tert-butyl-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232118
ethyl 5-[(1-methylimidazol-2-yl)methylamino]pyridine-3-carboxylate
CID 82535225
N-(3-chloro-4-methoxyphenyl)-5-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234331
ethyl 5-(pyridin-4-ylamino)pyridine-3-carboxylate
CID 82535099

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate (CID 110453095) is ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate is CCOC(=O)c1cncc(NCc2ccccc2OC(C)(C)C)c1.
What is the InChIKey of ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate?
The InChIKey is QJQGUYYYHKOCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-23-18(22)15-10-16(13-20-11-15)21-12-14-8-6-7-9-17(14)24-19(2,3)4/h6-11,13,21H,5,12H2,1-4H3.
What are the key properties of ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate?
ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 110453095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).