methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate

C16H25N3O2 — CID 133432183

IUPACmethyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCCN2CCCCC2)nc1C
InChIInChI=1S/C16H25N3O2/c1-13-14(16(20)21-2)7-8-15(18-13)17-9-6-12-19-10-4-3-5-11-19/h7-8H,3-6,9-12H2,1-2H3,(H,17,18)
InChIKeyZLEYAMJMQBOYNL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.46
Rot. Bonds6

About methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate

methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate (PubChem CID 133432183) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
PubChem CID133432183
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namemethyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCCN2CCCCC2)nc1C
InChIInChI=1S/C16H25N3O2/c1-13-14(16(20)21-2)7-8-15(18-13)17-9-6-12-19-10-4-3-5-11-19/h7-8H,3-6,9-12H2,1-2H3,(H,17,18)
InChIKeyZLEYAMJMQBOYNL-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-methyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 114046561
6-methyl-2-N-(4-pyrrolidin-1-ylbutyl)pyridine-2,5-diamine
CID 82060939
methyl 4-[2-(azepan-1-yl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285238
methyl 2-methyl-6-[[4-(piperidine-1-carbonyl)phenyl]methylamino]pyridine-3-carboxylate
CID 133432389
6-methoxy-2-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 66327743
6-(3-pyrrolidin-1-ylpropylamino)pyridazine-3-carboxylic acid
CID 55135442
methyl 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-2-methylpyridine-3-carboxylate
CID 133434367
2-methyl-4-(3-pyrrolidin-1-ylpropylamino)-1H-pyrimidin-6-one
CID 136956622
methyl 4-[3-(azepan-1-yl)propylsulfamoylmethyl]benzoate
CID 92675005
5-ethyl-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 177158499
2-methyl-4-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-4,6-diamine
CID 72914778
6-(3-pyrrolidin-1-ylpropylamino)pyrazine-2-carboxylic acid
CID 66452088

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate (CID 133432183) is methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate is COC(=O)c1ccc(NCCCN2CCCCC2)nc1C.
What is the InChIKey of methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate?
The InChIKey is ZLEYAMJMQBOYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-14(16(20)21-2)7-8-15(18-13)17-9-6-12-19-10-4-3-5-11-19/h7-8H,3-6,9-12H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate?
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate is sourced from PubChem (CID 133432183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).