6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid

C11H15N3O3 — CID 106904472

IUPAC6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-2-13-10(15)7-12-6-8-4-3-5-9(14-8)11(16)17/h3-5,12H,2,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyXVRBXAMUAPVYOI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.01
Rot. Bonds6

About 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid

6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904472) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904472
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)CNCc1cccc(C(=O)O)n1
InChIInChI=1S/C11H15N3O3/c1-2-13-10(15)7-12-6-8-4-3-5-9(14-8)11(16)17/h3-5,12H,2,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyXVRBXAMUAPVYOI-UHFFFAOYSA-N
XLogP0.01
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(ethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 62238851
6-[(2-ethylbutylamino)methyl]pyridine-2-carboxylic acid
CID 106904993
6-[(methylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 84676608
6-[(but-2-ynylamino)methyl]pyridine-2-carboxylic acid
CID 106904962
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[(methoxycarbonylamino)methyl]pyridine-2-carboxylic acid
CID 84677462
6-[(3-methylbut-2-enylamino)methyl]pyridine-2-carboxylic acid
CID 106190462
6-[[2-(carbamoylamino)ethylamino]methyl]pyridine-2-carboxylic acid
CID 106904907
5-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103238431
6-[(3-hydroxybutylamino)methyl]pyridine-2-carboxylic acid
CID 106904745
6-[[(2-ethyl-4-hydroxybutyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904840
6-[(2-ethoxypropylamino)methyl]pyridine-2-carboxylic acid
CID 106904972

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid (CID 106904472) is 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid is CCNC(=O)CNCc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is XVRBXAMUAPVYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-13-10(15)7-12-6-8-4-3-5-9(14-8)11(16)17/h3-5,12H,2,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).