methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate

C13H18N2O2 — CID 114108227

IUPACmethyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCC2CC2(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-13(2)7-10(13)8-15-11-6-9(4-5-14-11)12(16)17-3/h4-6,10H,7-8H2,1-3H3,(H,14,15)
InChIKeyZBXBUYDTAVJXOS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.33
Rot. Bonds4

About methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate

methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate (PubChem CID 114108227) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
PubChem CID114108227
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(NCC2CC2(C)C)c1
InChIInChI=1S/C13H18N2O2/c1-13(2)7-10(13)8-15-11-6-9(4-5-14-11)12(16)17-3/h4-6,10H,7-8H2,1-3H3,(H,14,15)
InChIKeyZBXBUYDTAVJXOS-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 83834716
methyl 2-(2-aminoethylamino)pyridine-4-carboxylate
CID 83830934
methyl 2-[(1-methylsulfanylcyclobutyl)methylamino]pyridine-4-carboxylate
CID 114116541
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 79350996
methyl 2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-4-carboxylate
CID 106400515
methyl 2-(trideuteriomethylamino)pyridine-4-carboxylate
CID 155292007
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
methyl 2-[(2,4-dimethoxyphenyl)methylamino]pyridine-4-carboxylate
CID 39782603
2-cyclopropyl-2-[(4-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 114074924

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate (CID 114108227) is methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate is COC(=O)c1ccnc(NCC2CC2(C)C)c1.
What is the InChIKey of methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate?
The InChIKey is ZBXBUYDTAVJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(2)7-10(13)8-15-11-6-9(4-5-14-11)12(16)17-3/h4-6,10H,7-8H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate?
methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,2-dimethylcyclopropyl)methylamino]pyridine-4-carboxylate is sourced from PubChem (CID 114108227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).