2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C14H15N3O3 — CID 114324258

IUPAC2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCn1cccc1C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H15N3O3/c1-2-17-7-3-4-12(17)13(18)16-9-11-8-10(14(19)20)5-6-15-11/h3-8H,2,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyHWYHCHGFPHDUDT-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.53
Rot. Bonds5

About 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324258) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324258
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCCn1cccc1C(=O)NCc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H15N3O3/c1-2-17-7-3-4-12(17)13(18)16-9-11-8-10(14(19)20)5-6-15-11/h3-8H,2,9H2,1H3,(H,16,18)(H,19,20)
InChIKeyHWYHCHGFPHDUDT-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
1-ethyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 141085829
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
2-[[(3-hydroxy-4-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324060
2-[[(4-ethyl-3-oxopyrazin-2-yl)amino]methyl]pyridine-4-carboxylic acid
CID 114324547
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
2-[[(4-hydroxy-2-methylbenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107670890
3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103400235

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324258) is 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is CCn1cccc1C(=O)NCc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is HWYHCHGFPHDUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-17-7-3-4-12(17)13(18)16-9-11-8-10(14(19)20)5-6-15-11/h3-8H,2,9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrole-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).