2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid

C14H18N4O2 — CID 126755730

IUPAC2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCN(CCCn1ccnc1)Cc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H18N4O2/c1-17(6-2-7-18-8-5-15-11-18)10-13-9-12(14(19)20)3-4-16-13/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,19,20)
InChIKeyHAUPXZIVDRDAMV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.50
Rot. Bonds7

About 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid

2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 126755730) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID126755730
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid
SMILESCN(CCCn1ccnc1)Cc1cc(C(=O)O)ccn1
InChIInChI=1S/C14H18N4O2/c1-17(6-2-7-18-8-5-15-11-18)10-13-9-12(14(19)20)3-4-16-13/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,19,20)
InChIKeyHAUPXZIVDRDAMV-UHFFFAOYSA-N
XLogP1.50
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[ethyl(methyl)amino]methyl]pyridine-4-carboxylic acid
CID 122629206
3-[3-imidazol-1-ylpropyl(methyl)amino]propanoic acid
CID 61492835
2-[(2-imidazol-1-ylethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325207
3-amino-4-[ethyl(3-imidazol-1-ylpropyl)amino]benzoic acid
CID 63118963
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
3-fluoro-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 107689821
3-ethoxy-4-(3-imidazol-1-ylpropoxy)benzoic acid
CID 61492893
3-(3-imidazol-1-ylpropoxy)-4-iodobenzoic acid
CID 114103565
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]benzenecarbothioamide
CID 62967905
3-imidazol-1-yl-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 171912724
1-[3-imidazol-1-ylpropyl(methyl)amino]propan-2-ol
CID 62334128

Frequently Asked Questions

What is the IUPAC name of 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid (CID 126755730) is 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid is CN(CCCn1ccnc1)Cc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is HAUPXZIVDRDAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17(6-2-7-18-8-5-15-11-18)10-13-9-12(14(19)20)3-4-16-13/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,19,20).
What are the key properties of 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 126755730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).