2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid

C13H19N3O3 — CID 54990300

IUPAC2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H19N3O3/c1-4-7-16(9-12(17)15(2)3)11-8-10(13(18)19)5-6-14-11/h5-6,8H,4,7,9H2,1-3H3,(H,18,19)
InChIKeyKEXBTCCJYAUMGS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.08
Rot. Bonds6

About 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid

2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid (PubChem CID 54990300) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
PubChem CID54990300
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C13H19N3O3/c1-4-7-16(9-12(17)15(2)3)11-8-10(13(18)19)5-6-14-11/h5-6,8H,4,7,9H2,1-3H3,(H,18,19)
InChIKeyKEXBTCCJYAUMGS-UHFFFAOYSA-N
XLogP1.08
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974
2-[[4-(aminomethyl)-2-pyridinyl]-propylamino]-N,N-dimethylacetamide
CID 54984980
6-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54990351
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
2-[(5-amino-4-methyl-2-pyridinyl)-propylamino]-N,N-dimethylacetamide
CID 79177065
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid (CID 54990300) is 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid is CCCN(CC(=O)N(C)C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
The InChIKey is KEXBTCCJYAUMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-7-16(9-12(17)15(2)3)11-8-10(13(18)19)5-6-14-11/h5-6,8H,4,7,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 54990300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).