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

C14H18N2O3 — CID 113263115

IUPAC4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(C(=O)c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-3-8-16(11-4-5-11)13(17)10-6-7-15-12(9-10)14(18)19/h6-7,9,11H,2-5,8H2,1H3,(H,18,19)
InChIKeySJMJHOGALUFXAG-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.18
Rot. Bonds6

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

4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid (PubChem CID 113263115) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
PubChem CID113263115
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid
SMILESCCCCN(C(=O)c1ccnc(C(=O)O)c1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-3-8-16(11-4-5-11)13(17)10-6-7-15-12(9-10)14(18)19/h6-7,9,11H,2-5,8H2,1H3,(H,18,19)
InChIKeySJMJHOGALUFXAG-UHFFFAOYSA-N
XLogP2.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-butyl-N-cyclopropylpyridine-4-carboxamide
CID 62161731
4-[cyclopropyl-[(3,4-dimethylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119186302
4-[butyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-2-carboxylic acid
CID 119181552
4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119184411
2-(aminomethyl)-N-cyclopropyl-N-propylpyridine-4-carboxamide
CID 113277725
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
4-[(3-ethoxy-2,2-dimethylcyclobutyl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119186362
4-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]pyridine-2-carboxylic acid
CID 119187147
2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]pyridine-4-carboxylic acid
CID 122055938
4-[methyl(pentan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 112703111

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid (CID 113263115) is 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid is CCCCN(C(=O)c1ccnc(C(=O)O)c1)C1CC1.
What is the InChIKey of 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is SJMJHOGALUFXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-3-8-16(11-4-5-11)13(17)10-6-7-15-12(9-10)14(18)19/h6-7,9,11H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid?
4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(cyclopropyl)carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 113263115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).