6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid

C13H18N2O2 — CID 106904188

IUPAC6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(9)7-15(2)8-11-4-3-5-12(14-11)13(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyHVCGVUJNVDCDMM-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.87
Rot. Bonds5

About 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid

6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904188) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904188
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCC1CC1CN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(9)7-15(2)8-11-4-3-5-12(14-11)13(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17)
InChIKeyHVCGVUJNVDCDMM-UHFFFAOYSA-N
XLogP1.87
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fusaric Acid
CID 3442
2,6-Pyridinedicarboxylic acid
CID 10367
6-Methylpyridine-2-carboxylic acid
CID 70282
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
6-[[2-[(6-Carboxy-2-pyridinyl)methylamino]ethylamino]methyl]pyridine-2-carboxylic acid
CID 58567052
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663
5-Ethylpicolinic acid
CID 120375
5-(3-Methylbutyl)-2-pyridinecarboxylic acid
CID 39522
Picolinic acid, 5-octyl-
CID 213487
6-(Methylcarbamoyl)pyridine-2-carboxylic acid
CID 43558273

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid (CID 106904188) is 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid is CC1CC1CN(C)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is HVCGVUJNVDCDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-10(9)7-15(2)8-11-4-3-5-12(14-11)13(16)17/h3-5,9-10H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).