2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid

C14H13N3O4 — CID 70895468

IUPAC2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESNCCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H13N3O4/c15-3-6-21-14(20)10-2-5-17-12(8-10)11-7-9(13(18)19)1-4-16-11/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)
InChIKeyOAXJQCDMSKGKJT-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid

2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 70895468) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID70895468
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESNCCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H13N3O4/c15-3-6-21-14(20)10-2-5-17-12(8-10)11-7-9(13(18)19)1-4-16-11/h1-2,4-5,7-8H,3,6,15H2,(H,18,19)
InChIKeyOAXJQCDMSKGKJT-UHFFFAOYSA-N
XLogP0.96
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-heptoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158719684
2-(4-hexoxycarbonyl-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium
CID 158415577
2-methoxyethyl 2-[4-(2-methoxyethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylate
CID 122383458
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
5-(2-butoxyethoxy)pentyl 2-[4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxycarbonyl]-2-pyridinyl]pyridine-4-carboxylate
CID 159072867
3-[4-(3-carboxybenzoyl)oxybutoxycarbonyl]benzoic acid
CID 22226160
ethyl 2-(4-tert-butyl-2-pyridinyl)pyridine-4-carboxylate
CID 122378001
4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid
CID 139668907
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
3-[5-(3-carboxybenzoyl)oxypentoxycarbonyl]benzoic acid
CID 70459829
3-[2-(4-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid
CID 67316168
3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]benzoic acid
CID 22572510

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 70895468) is 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid is NCCOC(=O)c1ccnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is OAXJQCDMSKGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c15-3-6-21-14(20)10-2-5-17-12(8-10)11-7-9(13(18)19)1-4-16-11/h1-2,4-5,7-8H,3,6,15H2,(H,18,19).
What are the key properties of 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid?
2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethoxycarbonyl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70895468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).