2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid

C14H18N4O2 — CID 90407364

IUPAC2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H18N4O2/c1-17(2)6-3-7-18-9-13(16-10-18)12-8-11(14(19)20)4-5-15-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyGRMUJVXRUPGPQV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds6

About 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407364) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407364
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN(C)CCCn1cnc(-c2cc(C(=O)O)ccn2)c1
InChIInChI=1S/C14H18N4O2/c1-17(2)6-3-7-18-9-13(16-10-18)12-8-11(14(19)20)4-5-15-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,20)
InChIKeyGRMUJVXRUPGPQV-UHFFFAOYSA-N
XLogP1.60
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407364) is 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN(C)CCCn1cnc(-c2cc(C(=O)O)ccn2)c1.
What is the InChIKey of 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is GRMUJVXRUPGPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(2)6-3-7-18-9-13(16-10-18)12-8-11(14(19)20)4-5-15-12/h4-5,8-10H,3,6-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(dimethylamino)propyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).