6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid

C13H17N3O4 — CID 122053743

IUPAC6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
SMILESCN(CC(=O)N1CCOCC1)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-15(9-12(17)16-5-7-20-8-6-16)11-4-2-3-10(14-11)13(18)19/h2-4H,5-9H2,1H3,(H,18,19)
InChIKeyUTDSUPFCCVRFNS-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.07
Rot. Bonds4

About 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid

6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid (PubChem CID 122053743) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
PubChem CID122053743
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
SMILESCN(CC(=O)N1CCOCC1)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H17N3O4/c1-15(9-12(17)16-5-7-20-8-6-16)11-4-2-3-10(14-11)13(18)19/h2-4H,5-9H2,1H3,(H,18,19)
InChIKeyUTDSUPFCCVRFNS-UHFFFAOYSA-N
XLogP0.07
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 68516488
2-[methyl-(3-phenyl-1,2,4-thiadiazol-5-yl)amino]-1-morpholin-4-ylethanone
CID 86797605
5-amino-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]benzoic acid
CID 63116489
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122057321
2-[[6-(benzimidazol-1-yl)-2-pyridinyl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 166257160
2-[[2-(3-chlorophenyl)-2-hydroxyethyl]-methylamino]-1-morpholin-4-ylethanone
CID 111487350
6-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 68841111
6-[3-methoxypropyl(methyl)amino]pyridine-2-carboxylic acid
CID 63009746
2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78880040
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
CID 122055732
6-[methyl(2-propan-2-yloxyethyl)amino]pyridine-2-carboxylic acid
CID 81055123

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid (CID 122053743) is 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid is CN(CC(=O)N1CCOCC1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is UTDSUPFCCVRFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-15(9-12(17)16-5-7-20-8-6-16)11-4-2-3-10(14-11)13(18)19/h2-4H,5-9H2,1H3,(H,18,19).
What are the key properties of 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid?
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).