3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid

C14H15N3O4 — CID 114608879

IUPAC3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
SMILESCOCCn1cccc1C(=O)Nc1cnccc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-21-8-7-17-6-2-3-12(17)13(18)16-11-9-15-5-4-10(11)14(19)20/h2-6,9H,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyQKPMBAQPNNBCPP-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.48
Rot. Bonds6

About 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid

3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid (PubChem CID 114608879) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
PubChem CID114608879
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
SMILESCOCCn1cccc1C(=O)Nc1cnccc1C(=O)O
InChIInChI=1S/C14H15N3O4/c1-21-8-7-17-6-2-3-12(17)13(18)16-11-9-15-5-4-10(11)14(19)20/h2-6,9H,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyQKPMBAQPNNBCPP-UHFFFAOYSA-N
XLogP1.48
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608880
N-(5-chloropyrazin-2-yl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107595875
5-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylic acid
CID 114608677
1-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 114608926
N-(2-chloro-4-iodophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 107606838
N-(5-amino-2-fluorophenyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610046
N-[1-(hydroxymethyl)cyclopropyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609814
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
N-(6-bromo-2-pyridinyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609182
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-[3-(aminomethyl)phenyl]-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610220
5-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]benzoic acid
CID 43639041

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid (CID 114608879) is 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid is COCCn1cccc1C(=O)Nc1cnccc1C(=O)O.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
The InChIKey is QKPMBAQPNNBCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-21-8-7-17-6-2-3-12(17)13(18)16-11-9-15-5-4-10(11)14(19)20/h2-6,9H,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid?
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 114608879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).