methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate

C13H18N2O2 — CID 104695593

IUPACmethyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1(C)CCC1
InChIInChI=1S/C13H18N2O2/c1-13(6-4-7-13)9-15-11-10(12(16)17-2)5-3-8-14-11/h3,5,8H,4,6-7,9H2,1-2H3,(H,14,15)
InChIKeyAVXMMJUUBMNTMS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds4

About methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate

methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate (PubChem CID 104695593) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
PubChem CID104695593
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1(C)CCC1
InChIInChI=1S/C13H18N2O2/c1-13(6-4-7-13)9-15-11-10(12(16)17-2)5-3-8-14-11/h3,5,8H,4,6-7,9H2,1-2H3,(H,14,15)
InChIKeyAVXMMJUUBMNTMS-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
CID 105418983
N-methyl-2-[(1-methylcyclopentyl)methylamino]pyridine-3-carboxamide
CID 133321099
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
CID 107164465
2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
CID 113253039
methyl 2-[(3-hydroxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 65034793
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736890
3-chloro-N-[(1-methylcyclopropyl)methyl]pyridin-2-amine
CID 103748441

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate (CID 104695593) is methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC1(C)CCC1.
What is the InChIKey of methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate?
The InChIKey is AVXMMJUUBMNTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(6-4-7-13)9-15-11-10(12(16)17-2)5-3-8-14-11/h3,5,8H,4,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate?
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 104695593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).