2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid

C13H13N3O2 — CID 60903144

IUPAC2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ccncc2)c1
InChIInChI=1S/C13H13N3O2/c17-13(18)11-4-8-16-12(9-11)15-7-3-10-1-5-14-6-2-10/h1-2,4-6,8-9H,3,7H2,(H,15,16)(H,17,18)
InChIKeyMQOGZRASWQOOOC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds5

About 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid

2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid (PubChem CID 60903144) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
PubChem CID60903144
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCCc2ccncc2)c1
InChIInChI=1S/C13H13N3O2/c17-13(18)11-4-8-16-12(9-11)15-7-3-10-1-5-14-6-2-10/h1-2,4-6,8-9H,3,7H2,(H,15,16)(H,17,18)
InChIKeyMQOGZRASWQOOOC-UHFFFAOYSA-N
XLogP1.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)pyridine-4-carboxylic acid
CID 53408816
6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
2-[2-(1,3-thiazol-2-yl)ethylamino]pyridine-4-carboxylic acid
CID 55219063
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carboxylic acid
CID 106400845
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 112723330
2-(2-ethoxyethylamino)pyridine-4-carboxylic acid
CID 43591505
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
2-(4-hydroxypentylamino)pyridine-4-carboxylic acid
CID 106136491
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
CID 55236658
2-(2-methylprop-2-enylamino)pyridine-4-carboxylic acid
CID 114617456

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid (CID 60903144) is 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCCc2ccncc2)c1.
What is the InChIKey of 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid?
The InChIKey is MQOGZRASWQOOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)11-4-8-16-12(9-11)15-7-3-10-1-5-14-6-2-10/h1-2,4-6,8-9H,3,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid?
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 60903144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).