methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate

C12H19N3O2 — CID 66284614

IUPACmethyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCCCN(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-15(2)8-4-6-13-10-5-7-14-11(9-10)12(16)17-3/h5,7,9H,4,6,8H2,1-3H3,(H,13,14)
InChIKeyHFORKXLYGLDLBT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds6

About methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate

methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate (PubChem CID 66284614) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
PubChem CID66284614
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCCCN(C)C)ccn1
InChIInChI=1S/C12H19N3O2/c1-15(2)8-4-6-13-10-5-7-14-11(9-10)12(16)17-3/h5,7,9H,4,6,8H2,1-3H3,(H,13,14)
InChIKeyHFORKXLYGLDLBT-UHFFFAOYSA-N
XLogP1.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
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

4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
7-[(2-methoxycarbonyl-4-pyridinyl)amino]heptanoic acid
CID 66290880
methyl 4-(3-methylsulfinylpropylamino)pyridine-2-carboxylate
CID 115657520
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-butan-2-yl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109203245
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
4-[3-(dimethylamino)propylamino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109207899
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate (CID 66284614) is methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate is COC(=O)c1cc(NCCCN(C)C)ccn1.
What is the InChIKey of methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate?
The InChIKey is HFORKXLYGLDLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(2)8-4-6-13-10-5-7-14-11(9-10)12(16)17-3/h5,7,9H,4,6,8H2,1-3H3,(H,13,14).
What are the key properties of methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate?
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate is sourced from PubChem (CID 66284614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).