2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

C18H18N4O2 — CID 90407349

IUPAC2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21(15-5-3-2-4-6-15)9-10-22-12-17(20-13-22)16-11-14(18(23)24)7-8-19-16/h2-8,11-13H,9-10H2,1H3,(H,23,24)
InChIKeyGUHGGLPTVJEQIO-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.78
Rot. Bonds6

About 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407349) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407349
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1
InChIInChI=1S/C18H18N4O2/c1-21(15-5-3-2-4-6-15)9-10-22-12-17(20-13-22)16-11-14(18(23)24)7-8-19-16/h2-8,11-13H,9-10H2,1H3,(H,23,24)
InChIKeyGUHGGLPTVJEQIO-UHFFFAOYSA-N
XLogP2.78
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407349) is 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)c1ccccc1.
What is the InChIKey of 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is GUHGGLPTVJEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21(15-5-3-2-4-6-15)9-10-22-12-17(20-13-22)16-11-14(18(23)24)7-8-19-16/h2-8,11-13H,9-10H2,1H3,(H,23,24).
What are the key properties of 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(N-methylanilino)ethyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).