methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate

C13H19N3O2 — CID 66284702

IUPACmethyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C)C2CCCNC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-16(11-4-3-6-14-9-11)10-5-7-15-12(8-10)13(17)18-2/h5,7-8,11,14H,3-4,6,9H2,1-2H3
InChIKeyCKNSFLPJEMRYIK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.06
Rot. Bonds3

About methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate

methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate (PubChem CID 66284702) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
PubChem CID66284702
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(N(C)C2CCCNC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-16(11-4-3-6-14-9-11)10-5-7-15-12(8-10)13(17)18-2/h5,7-8,11,14H,3-4,6,9H2,1-2H3
InChIKeyCKNSFLPJEMRYIK-UHFFFAOYSA-N
XLogP1.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
methyl 4-[[2-(aminomethyl)cyclopentyl]-methylamino]pyridine-2-carboxylate
CID 66285918
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
CID 66287511
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
methyl 2-(piperidin-3-ylamino)pyridine-4-carboxylate
CID 83841971
2-N,2-N,4-N-trimethyl-4-N-piperidin-3-ylpyrimidine-2,4-diamine
CID 64830287
methyl 4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)pyridine-2-carboxylate
CID 102683433
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
methyl 4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-2-carboxylate
CID 156664169
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 61233390

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate (CID 66284702) is methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate is COC(=O)c1cc(N(C)C2CCCNC2)ccn1.
What is the InChIKey of methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate?
The InChIKey is CKNSFLPJEMRYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(11-4-3-6-14-9-11)10-5-7-15-12(8-10)13(17)18-2/h5,7-8,11,14H,3-4,6,9H2,1-2H3.
What are the key properties of methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate?
methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 66284702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).