2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid

C14H23N3O2 — CID 114198580

IUPAC2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
SMILESCCN(Cc1ncccc1C(=O)O)C(C)CN(C)C
InChIInChI=1S/C14H23N3O2/c1-5-17(11(2)9-16(3)4)10-13-12(14(18)19)7-6-8-15-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyKKNIMVYFEIJXFI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.55
Rot. Bonds7

About 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid

2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198580) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
PubChem CID114198580
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid
SMILESCCN(Cc1ncccc1C(=O)O)C(C)CN(C)C
InChIInChI=1S/C14H23N3O2/c1-5-17(11(2)9-16(3)4)10-13-12(14(18)19)7-6-8-15-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,19)
InChIKeyKKNIMVYFEIJXFI-UHFFFAOYSA-N
XLogP1.55
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-3-carboxylic acid
CID 82187670
2-(2-methylpropyl)pyridine-3-carboxylic acid
CID 83914927
2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198494
2-[[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]methyl]benzoic acid
CID 95225327
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]thiophene-2-carboxylic acid
CID 103189702
2-[(3-hydroxy-N-methylanilino)methyl]pyridine-3-carboxylic acid
CID 114198841
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]pyridine-3-carboxylic acid
CID 136574744
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-[(2S)-3-carboxy-2-methylpropyl]pyridine-3-carboxylic acid
CID 163000699
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate
CID 103189691

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid (CID 114198580) is 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid is CCN(Cc1ncccc1C(=O)O)C(C)CN(C)C.
What is the InChIKey of 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is KKNIMVYFEIJXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-5-17(11(2)9-16(3)4)10-13-12(14(18)19)7-6-8-15-13/h6-8,11H,5,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid?
2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).