methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate

C14H21N3O2 — CID 66285860

IUPACmethyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2CCCCN2C)ccn1
InChIInChI=1S/C14H21N3O2/c1-17-8-4-3-5-12(17)10-16-11-6-7-15-13(9-11)14(18)19-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyYDXGVIQCBFWJEC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate

methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate (PubChem CID 66285860) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
PubChem CID66285860
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2CCCCN2C)ccn1
InChIInChI=1S/C14H21N3O2/c1-17-8-4-3-5-12(17)10-16-11-6-7-15-13(9-11)14(18)19-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,16)
InChIKeyYDXGVIQCBFWJEC-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
CID 71926633
methyl 4-(piperidin-2-ylmethylamino)pyridine-2-carboxylate
CID 66285496
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
methyl 4-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-2-carboxylate
CID 114138490
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 2-[(1-methylpiperidin-2-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80571000
2-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106028932
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
methyl 4-(thiolan-3-ylmethylamino)pyridine-2-carboxylate
CID 107296619
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
3-iodo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655252

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate (CID 66285860) is methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate is COC(=O)c1cc(NCC2CCCCN2C)ccn1.
What is the InChIKey of methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate?
The InChIKey is YDXGVIQCBFWJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-8-4-3-5-12(17)10-16-11-6-7-15-13(9-11)14(18)19-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate?
methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylpiperidin-2-yl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66285860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).