methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate

C16H18N2O3 — CID 66242631

IUPACmethyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3/c1-11(12-6-8-13(20-2)9-7-12)18-15-14(16(19)21-3)5-4-10-17-15/h4-11H,1-3H3,(H,17,18)
InChIKeyPKRGCCBFMRVYOE-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.05
Rot. Bonds5

About methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate

methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate (PubChem CID 66242631) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
PubChem CID66242631
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)c1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3/c1-11(12-6-8-13(20-2)9-7-12)18-15-14(16(19)21-3)5-4-10-17-15/h4-11H,1-3H3,(H,17,18)
InChIKeyPKRGCCBFMRVYOE-UHFFFAOYSA-N
XLogP3.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
CID 60722799
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl 4-[(1S)-1-[[8-(4-methoxyphenoxy)isoquinolin-1-yl]amino]ethyl]benzoate
CID 118887981
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyridin-3-amine
CID 79041915
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
N-[1-(4-methoxyphenyl)ethyl]-2-nitropyridin-3-amine
CID 115597004

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate (CID 66242631) is methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC(C)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate?
The InChIKey is PKRGCCBFMRVYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(12-6-8-13(20-2)9-7-12)18-15-14(16(19)21-3)5-4-10-17-15/h4-11H,1-3H3,(H,17,18).
What are the key properties of methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate?
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 66242631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).