methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate

C11H14N2O2 — CID 114617741

IUPACmethyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
SMILESC=C(C)CNc1ncccc1C(=O)OC
InChIInChI=1S/C11H14N2O2/c1-8(2)7-13-10-9(11(14)15-3)5-4-6-12-10/h4-6H,1,7H2,2-3H3,(H,12,13)
InChIKeyCKOGBLAILPSJGS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.86
Rot. Bonds4

About methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate

methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate (PubChem CID 114617741) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
PubChem CID114617741
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Namemethyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
SMILESC=C(C)CNc1ncccc1C(=O)OC
InChIInChI=1S/C11H14N2O2/c1-8(2)7-13-10-9(11(14)15-3)5-4-6-12-10/h4-6H,1,7H2,2-3H3,(H,12,13)
InChIKeyCKOGBLAILPSJGS-UHFFFAOYSA-N
XLogP1.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
2-methoxy-3-[(3-methoxycarbonyl-2-pyridinyl)amino]propanoic acid
CID 106108531
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
methyl 2-[(2-methoxy-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 60724684

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate (CID 114617741) is methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate is C=C(C)CNc1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate?
The InChIKey is CKOGBLAILPSJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(2)7-13-10-9(11(14)15-3)5-4-6-12-10/h4-6H,1,7H2,2-3H3,(H,12,13).
What are the key properties of methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate?
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate is sourced from PubChem (CID 114617741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).