2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid

C13H19N3O3 — CID 114198495

IUPAC2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
SMILESCCCCN(CC(N)=O)Cc1ncccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-3-7-16(9-12(14)17)8-11-10(13(18)19)5-4-6-15-11/h4-6H,2-3,7-9H2,1H3,(H2,14,17)(H,18,19)
InChIKeyUKYUQWMKXLENHP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.87
Rot. Bonds8

About 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid

2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198495) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
PubChem CID114198495
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid
SMILESCCCCN(CC(N)=O)Cc1ncccc1C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-3-7-16(9-12(14)17)8-11-10(13(18)19)5-4-6-15-11/h4-6H,2-3,7-9H2,1H3,(H2,14,17)(H,18,19)
InChIKeyUKYUQWMKXLENHP-UHFFFAOYSA-N
XLogP0.87
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-[butyl-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 56815188
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
CID 114198835
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 136574744
2-[butyl-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]amino]acetamide
CID 62890626
2-[butyl-[(2-hydroxyphenyl)methyl]amino]acetamide
CID 82978056
2-[[2-(aminomethyl)phenyl]methyl-butylamino]acetamide
CID 55002605
3-amino-2-[(2-amino-2-oxoethyl)-butylamino]benzoic acid
CID 112578598
2-[[butyl(ethyl)amino]methoxy]benzoic acid
CID 22685507
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 114198580
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid (CID 114198495) is 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid is CCCCN(CC(N)=O)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is UKYUQWMKXLENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-3-7-16(9-12(14)17)8-11-10(13(18)19)5-4-6-15-11/h4-6H,2-3,7-9H2,1H3,(H2,14,17)(H,18,19).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid?
2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-butylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).