methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate

C15H24N2O2 — CID 114198781

IUPACmethyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CNCC(C)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(15(2,3)4)9-16-10-13-12(14(18)19-5)7-6-8-17-13/h6-8,11,16H,9-10H2,1-5H3
InChIKeyWCSZTXWCJVHQAM-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.64
Rot. Bonds5

About methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate

methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate (PubChem CID 114198781) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
PubChem CID114198781
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1CNCC(C)C(C)(C)C
InChIInChI=1S/C15H24N2O2/c1-11(15(2,3)4)9-16-10-13-12(14(18)19-5)7-6-8-17-13/h6-8,11,16H,9-10H2,1-5H3
InChIKeyWCSZTXWCJVHQAM-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]pyridine-3-carboxylate
CID 114198641
methyl 2-[[(1-ethylcyclobutyl)amino]methyl]pyridine-3-carboxylate
CID 114198795
methyl 2-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]pyridine-3-carboxylate
CID 114198895
methyl 2-[[tert-butyl(dimethyl)silyl]peroxymethyl]pyridine-3-carboxylate
CID 153494128
methyl 2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-3-carboxylate
CID 79247382
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-(2-cyanoethyl)pyridine-3-carboxylate
CID 146567740
methyl 2-[[cyclopropylmethyl(propan-2-yl)amino]methyl]pyridine-3-carboxylate
CID 114198493
methyl 2-(1-aminoethyl)pyridine-3-carboxylate
CID 105438637
methyl 2-(trifluoromethyl)pyridine-3-carboxylate;dihydrochloride
CID 141197629
methyl 2-methylpyridine-3-carboxylate
CID 7015327

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate (CID 114198781) is methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate is COC(=O)c1cccnc1CNCC(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate?
The InChIKey is WCSZTXWCJVHQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(15(2,3)4)9-16-10-13-12(14(18)19-5)7-6-8-17-13/h6-8,11,16H,9-10H2,1-5H3.
What are the key properties of methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate?
methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3,3-trimethylbutylamino)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 114198781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).