4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid

C13H21N3O2 — CID 114132784

IUPAC4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCCCN(CC)CCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H21N3O2/c1-3-8-16(4-2)9-7-14-11-5-6-15-12(10-11)13(17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyUEEXUHSBVJFSBY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds8

About 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid

4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid (PubChem CID 114132784) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
PubChem CID114132784
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
SMILESCCCN(CC)CCNc1ccnc(C(=O)O)c1
InChIInChI=1S/C13H21N3O2/c1-3-8-16(4-2)9-7-14-11-5-6-15-12(10-11)13(17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyUEEXUHSBVJFSBY-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[di(propan-2-yl)amino]ethylamino]pyridine-2-carboxylic acid
CID 43143006
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[2-[ethyl(methyl)amino]ethylamino]pyridine-2-carboxamide
CID 62640887
N-ethyl-N-(2-hydroxy-2-methylpropyl)-4-(propylamino)pyridine-2-carboxamide
CID 79386430
2-[2-[(2-chloro-4-pyridinyl)amino]ethyl-ethylamino]ethanol
CID 133480149
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
4-(2-propan-2-ylsulfonylethylamino)pyridine-2-carboxylic acid
CID 167824866
4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 55219505
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
4-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-2-carboxylic acid
CID 114537284

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid (CID 114132784) is 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid is CCCN(CC)CCNc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid?
The InChIKey is UEEXUHSBVJFSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-8-16(4-2)9-7-14-11-5-6-15-12(10-11)13(17)18/h5-6,10H,3-4,7-9H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid?
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114132784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).