methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate

C12H16N2O2 — CID 114616881

IUPACmethyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
SMILESC=C(C)CNCc1ccc(C(=O)OC)cn1
InChIInChI=1S/C12H16N2O2/c1-9(2)6-13-8-11-5-4-10(7-14-11)12(15)16-3/h4-5,7,13H,1,6,8H2,2-3H3
InChIKeySGWVCYPWKCFYFQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.53
Rot. Bonds5

About methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate

methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate (PubChem CID 114616881) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
PubChem CID114616881
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate
SMILESC=C(C)CNCc1ccc(C(=O)OC)cn1
InChIInChI=1S/C12H16N2O2/c1-9(2)6-13-8-11-5-4-10(7-14-11)12(15)16-3/h4-5,7,13H,1,6,8H2,2-3H3
InChIKeySGWVCYPWKCFYFQ-UHFFFAOYSA-N
XLogP1.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.53
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

methyl 6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 81170020
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]pyridine-3-carboxylate
CID 115359742
methyl 6-[(pyridazin-3-ylmethylamino)methyl]pyridine-3-carboxylate
CID 106895872
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[(3-ethylsulfanylpropylamino)methyl]pyridine-3-carboxylate
CID 114248126
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[[(4-methyl-3-pyridinyl)methylamino]methyl]pyridine-3-carboxylate
CID 114955599
methyl 6-[(2-methylpropoxyamino)methyl]pyridine-3-carboxylate
CID 82715949
methyl 6-[[(3-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylate
CID 106132514
methyl 6-(3-aminopropyl)pyridine-3-carboxylate
CID 57039015

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate (CID 114616881) is methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate is C=C(C)CNCc1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate?
The InChIKey is SGWVCYPWKCFYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(2)6-13-8-11-5-4-10(7-14-11)12(15)16-3/h4-5,7,13H,1,6,8H2,2-3H3.
What are the key properties of methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate?
methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methylprop-2-enylamino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 114616881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).