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

C14H20N2O2 — CID 106904048

IUPAC6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCCCN(Cc1cccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-3-9-16(12-7-8-12)10-11-5-4-6-13(15-11)14(17)18/h4-6,12H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyAZNQIZMSMHBCTO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.54
Rot. Bonds7

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

6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid (PubChem CID 106904048) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
PubChem CID106904048
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
SMILESCCCCN(Cc1cccc(C(=O)O)n1)C1CC1
InChIInChI=1S/C14H20N2O2/c1-2-3-9-16(12-7-8-12)10-11-5-4-6-13(15-11)14(17)18/h4-6,12H,2-3,7-10H2,1H3,(H,17,18)
InChIKeyAZNQIZMSMHBCTO-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Fusaric Acid
CID 3442
Picolinic acid
CID 1018
2,6-Pyridinedicarboxylic acid
CID 10367
6-Methylpyridine-2-carboxylic acid
CID 70282
6-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 4019172
2-Pyridinecarboxylic acid, hydrochloride (1:1)
CID 71559
4-(Dimethylamino)pyridine-2-carboxylic acid
CID 2050134
Dimethyl pyridine-2,6-carboxylate
CID 79549
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

Frequently Asked Questions

What is the IUPAC name of 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid (CID 106904048) is 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid is CCCCN(Cc1cccc(C(=O)O)n1)C1CC1.
What is the InChIKey of 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is AZNQIZMSMHBCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-9-16(12-7-8-12)10-11-5-4-6-13(15-11)14(17)18/h4-6,12H,2-3,7-10H2,1H3,(H,17,18).
What are the key properties of 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid?
6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 106904048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).