methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate

C12H16N2O2 — CID 60722799

IUPACmethyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)C1CC1
InChIInChI=1S/C12H16N2O2/c1-8(9-5-6-9)14-11-10(12(15)16-2)4-3-7-13-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)
InChIKeyQWFVIFXTHOMPTC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.08
Rot. Bonds4

About methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate

methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate (PubChem CID 60722799) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
PubChem CID60722799
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC(C)C1CC1
InChIInChI=1S/C12H16N2O2/c1-8(9-5-6-9)14-11-10(12(15)16-2)4-3-7-13-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14)
InChIKeyQWFVIFXTHOMPTC-UHFFFAOYSA-N
XLogP2.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
N-(1-cyclopropylethyl)-3-methoxypyridin-2-amine
CID 115923060
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
CID 115309539
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
methyl 2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylate
CID 60721902
methyl 2-[1-(4-bromophenyl)ethylamino]pyridine-3-carboxylate
CID 60722191
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate (CID 60722799) is methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate is COC(=O)c1cccnc1NC(C)C1CC1.
What is the InChIKey of methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate?
The InChIKey is QWFVIFXTHOMPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(9-5-6-9)14-11-10(12(15)16-2)4-3-7-13-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate?
methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-cyclopropylethylamino)pyridine-3-carboxylate is sourced from PubChem (CID 60722799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).