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

C12H17N3O3 — CID 54984974

IUPAC2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
SMILESCCCN(CC(=O)NC)c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H17N3O3/c1-3-6-15(8-11(16)13-2)10-7-9(12(17)18)4-5-14-10/h4-5,7H,3,6,8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyAQAQWGNLOFZJNK-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds6

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

2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid (PubChem CID 54984974) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
PubChem CID54984974
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
SMILESCCCN(CC(=O)NC)c1cc(C(=O)O)ccn1
InChIInChI=1S/C12H17N3O3/c1-3-6-15(8-11(16)13-2)10-7-9(12(17)18)4-5-14-10/h4-5,7H,3,6,8H2,1-2H3,(H,13,16)(H,17,18)
InChIKeyAQAQWGNLOFZJNK-UHFFFAOYSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
2-[[2-(dimethylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54990300
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-[(4-bromo-2-pyridinyl)-propylamino]acetic acid
CID 120964998
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
2-[methyl(2-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 63957871

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid (CID 54984974) is 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid is CCCN(CC(=O)NC)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
The InChIKey is AQAQWGNLOFZJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-6-15(8-11(16)13-2)10-7-9(12(17)18)4-5-14-10/h4-5,7H,3,6,8H2,1-2H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid?
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 54984974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).