methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate

C17H20N2O3 — CID 22603043

IUPACmethyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Nc1ccc(C(O)C(C)C)cc1
InChIInChI=1S/C17H20N2O3/c1-11(2)15(20)12-6-8-13(9-7-12)19-16-14(17(21)22-3)5-4-10-18-16/h4-11,15,20H,1-3H3,(H,18,19)
InChIKeyPUOVAOUQKTWBKS-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.30
Rot. Bonds5

About methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate

methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate (PubChem CID 22603043) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate
PubChem CID22603043
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1Nc1ccc(C(O)C(C)C)cc1
InChIInChI=1S/C17H20N2O3/c1-11(2)15(20)12-6-8-13(9-7-12)19-16-14(17(21)22-3)5-4-10-18-16/h4-11,15,20H,1-3H3,(H,18,19)
InChIKeyPUOVAOUQKTWBKS-UHFFFAOYSA-N
XLogP3.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]anilino]anilino]pyridine-3-carboxylate
CID 155133955
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate
CID 142730255
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
N-(4-bromophenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23632633
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-(3-fluoro-5-methoxyanilino)pyridine-3-carboxylate;methyl 2-fluoropyridine-3-carboxylate
CID 162265180
N-(2,6-dimethylphenyl)-2-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 23633012
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate (CID 22603043) is methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate is COC(=O)c1cccnc1Nc1ccc(C(O)C(C)C)cc1.
What is the InChIKey of methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate?
The InChIKey is PUOVAOUQKTWBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)15(20)12-6-8-13(9-7-12)19-16-14(17(21)22-3)5-4-10-18-16/h4-11,15,20H,1-3H3,(H,18,19).
What are the key properties of methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate?
methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-hydroxy-2-methylpropyl)anilino]pyridine-3-carboxylate is sourced from PubChem (CID 22603043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).