2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid

C13H19N3O4 — CID 114325257

IUPAC2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
SMILESCCOCC(C)NC(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H19N3O4/c1-3-20-8-9(2)16-13(19)15-7-11-6-10(12(17)18)4-5-14-11/h4-6,9H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMNKJRHVSPZVNGG-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.00
Rot. Bonds7

About 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid

2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid (PubChem CID 114325257) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
PubChem CID114325257
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
SMILESCCOCC(C)NC(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C13H19N3O4/c1-3-20-8-9(2)16-13(19)15-7-11-6-10(12(17)18)4-5-14-11/h4-6,9H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyMNKJRHVSPZVNGG-UHFFFAOYSA-N
XLogP1.00
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
Kdm5-C70
CID 90094283
Kdoam-1
CID 126961671
Methyl 2-[[[2-[[2-(dimethylamino)ethyl]ethylamino]-2-oxoethyl]amino]methyl]-4-pyridinecarboxylate
CID 90094442
2-[[[(3R)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 91938043
2-[[(1-Ethyl-2-oxopyrrolidin-3-yl)methylamino]methyl]pyridine-4-carboxylic acid
CID 118420829
2-[[[(3R)-1-ethyl-2-oxopiperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118420859
2-[[[(3S)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 127030272
2-[[[(3S)-2-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 127033166
Ethyl 2-[[2-[2-(dimethylamino)ethyl-ethylamino]propylamino]methyl]pyridine-4-carboxylate
CID 168282475
2-({[(Tert-butoxy)carbonyl]amino}methyl)pyridine-4-carboxylic acid
CID 21949790
4-(((Tert-butoxycarbonyl)amino)methyl)picolinic acid
CID 44630157

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid (CID 114325257) is 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid is CCOCC(C)NC(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
The InChIKey is MNKJRHVSPZVNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-20-8-9(2)16-13(19)15-7-11-6-10(12(17)18)4-5-14-11/h4-6,9H,3,7-8H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid?
2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).