6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid

C17H21N3O2 — CID 122053203

IUPAC6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
SMILESCCN(C)Cc1cccc(CNc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C17H21N3O2/c1-3-20(2)12-14-7-4-6-13(10-14)11-18-16-9-5-8-15(19-16)17(21)22/h4-10H,3,11-12H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyHLTAYBHOSIFWCX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.84
Rot. Bonds7

About 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid

6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid (PubChem CID 122053203) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
PubChem CID122053203
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
SMILESCCN(C)Cc1cccc(CNc2cccc(C(=O)O)n2)c1
InChIInChI=1S/C17H21N3O2/c1-3-20(2)12-14-7-4-6-13(10-14)11-18-16-9-5-8-15(19-16)17(21)22/h4-10H,3,11-12H2,1-2H3,(H,18,19)(H,21,22)
InChIKeyHLTAYBHOSIFWCX-UHFFFAOYSA-N
XLogP2.84
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-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

6-chloro-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyrazin-2-amine
CID 133309543
6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122052746
3-chloro-6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carbonitrile
CID 133309541
3-[[(6-carbamoyl-2-pyridinyl)amino]methyl]benzoic acid
CID 64588943
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62418750
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
CID 62268952
(2S)-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-methylbutanamide
CID 95145860
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methylbutanamide
CID 47074469
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]isoquinoline-1-carboxamide
CID 52822157
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133309557
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(pyrimidin-2-ylamino)propanamide
CID 51096909

Frequently Asked Questions

What is the IUPAC name of 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid (CID 122053203) is 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid is CCN(C)Cc1cccc(CNc2cccc(C(=O)O)n2)c1.
What is the InChIKey of 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid?
The InChIKey is HLTAYBHOSIFWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-20(2)12-14-7-4-6-13(10-14)11-18-16-9-5-8-15(19-16)17(21)22/h4-10H,3,11-12H2,1-2H3,(H,18,19)(H,21,22).
What are the key properties of 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid?
6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).