5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid

C13H15N3O3 — CID 114090156

IUPAC5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(Cc1ccco1)c1cc(C(=O)O)c(N)cn1
InChIInChI=1S/C13H15N3O3/c1-2-16(8-9-4-3-5-19-9)12-6-10(13(17)18)11(14)7-15-12/h3-7H,2,8,14H2,1H3,(H,17,18)
InChIKeyJCXLFBZWEZOIIT-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.98
Rot. Bonds5

About 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid

5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid (PubChem CID 114090156) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
PubChem CID114090156
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid
SMILESCCN(Cc1ccco1)c1cc(C(=O)O)c(N)cn1
InChIInChI=1S/C13H15N3O3/c1-2-16(8-9-4-3-5-19-9)12-6-10(13(17)18)11(14)7-15-12/h3-7H,2,8,14H2,1H3,(H,17,18)
InChIKeyJCXLFBZWEZOIIT-UHFFFAOYSA-N
XLogP1.98
TPSA92.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[ethyl(furan-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66456851
3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
CID 80516869
3-amino-4-[ethyl(furan-2-ylmethyl)amino]benzoic acid
CID 61421271
N-ethyl-6-fluoro-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 115416612
N-ethyl-N-(furan-2-ylmethyl)-5-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 107379760
2-chloro-4-N-ethyl-4-N-(furan-2-ylmethyl)pyrimidine-4,5-diamine
CID 114043650
6-[ethyl(furan-2-ylmethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 81442388
5-[ethyl(furan-2-ylmethyl)amino]-2-nitrobenzoic acid
CID 61421164
5-[ethyl(furan-2-ylmethyl)amino]furan-2-carboxylic acid
CID 62206025
[4-[ethyl(furan-2-ylmethyl)amino]-2-pyridinyl]methanol
CID 61423124
ethyl 5-amino-2-[ethyl(furan-2-ylmethyl)amino]benzoate
CID 61421320
4-[(tert-butylamino)methyl]-N-ethyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62287774

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid (CID 114090156) is 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid is CCN(Cc1ccco1)c1cc(C(=O)O)c(N)cn1.
What is the InChIKey of 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
The InChIKey is JCXLFBZWEZOIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-16(8-9-4-3-5-19-9)12-6-10(13(17)18)11(14)7-15-12/h3-7H,2,8,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid?
5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl(furan-2-ylmethyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114090156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).