6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid

C13H18N2O2 — CID 2415269

IUPAC6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
SMILESCCCN(CC1CC1)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(14-12)13(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17)
InChIKeyDYBIFLHLDWENLS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.41
Rot. Bonds6

About 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid

6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid (PubChem CID 2415269) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
PubChem CID2415269
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid
SMILESCCCN(CC1CC1)c1cccc(C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(14-12)13(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17)
InChIKeyDYBIFLHLDWENLS-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
CID 80647313
6-chloro-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 63587069
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100
2-[cyclopropylmethyl(propyl)amino]quinoline-3-carboxylic acid
CID 61441562
6-[ethyl(2-methylpropyl)amino]pyridine-2-carboxylic acid
CID 62253963
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061
6-[(3-aminophenyl)methyl-propylamino]pyridine-2-carboxamide
CID 64589399
6-[2-(dimethylamino)ethyl-methylamino]pyridine-2-carboxylic acid
CID 63700400
6-[4-[2-[cyclopropylmethyl(ethyl)amino]ethyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 122054705
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106620470
6-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63235015

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid (CID 2415269) is 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid is CCCN(CC1CC1)c1cccc(C(=O)O)n1.
What is the InChIKey of 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid?
The InChIKey is DYBIFLHLDWENLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-8-15(9-10-6-7-10)12-5-3-4-11(14-12)13(16)17/h3-5,10H,2,6-9H2,1H3,(H,16,17).
What are the key properties of 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid?
6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(propyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 2415269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).