2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid

C13H18N2O2 — CID 61442819

IUPAC2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
SMILESCCCCN(c1cc(C(=O)O)ccn1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-3-8-15(11-4-5-11)12-9-10(13(16)17)6-7-14-12/h6-7,9,11H,2-5,8H2,1H3,(H,16,17)
InChIKeyWYJOKKVBUKSAOQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.55
Rot. Bonds6

About 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid

2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid (PubChem CID 61442819) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
PubChem CID61442819
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
SMILESCCCCN(c1cc(C(=O)O)ccn1)C1CC1
InChIInChI=1S/C13H18N2O2/c1-2-3-8-15(11-4-5-11)12-9-10(13(16)17)6-7-14-12/h6-7,9,11H,2-5,8H2,1H3,(H,16,17)
InChIKeyWYJOKKVBUKSAOQ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[butyl(cyclopropyl)amino]pyridazine-3-carboxylic acid
CID 61442957
2-[butyl(cyclopropyl)amino]pyridine-4-carbonitrile
CID 61442767
2-[cyclopropylmethyl(propyl)amino]pyridine-4-carboxylic acid
CID 61443100
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
CID 113263115
2-[ethyl(propyl)amino]pyridine-4-carboxylic acid
CID 43269021
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-[ethyl(methyl)amino]pyridine-4-carboxylic acid
CID 43263657
2-[bis(2-ethoxyethyl)amino]pyridine-4-carboxylic acid
CID 82960357
2-amino-N-butyl-N-cyclopropylpyridine-4-carboxamide
CID 62161731
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-4-carboxylic acid
CID 22036054
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80799416
2-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridine-4-carboxylic acid
CID 54984974

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid (CID 61442819) is 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid is CCCCN(c1cc(C(=O)O)ccn1)C1CC1.
What is the InChIKey of 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid?
The InChIKey is WYJOKKVBUKSAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-3-8-15(11-4-5-11)12-9-10(13(16)17)6-7-14-12/h6-7,9,11H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid?
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 61442819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).