4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid

C14H18N2O3 — CID 113385031

IUPAC4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H18N2O3/c1-2-11(7-9-3-4-9)16-13(17)10-5-6-15-12(8-10)14(18)19/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyHBKYQGLBVQQOOO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.09
Rot. Bonds6

About 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid

4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid (PubChem CID 113385031) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
PubChem CID113385031
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
SMILESCCC(CC1CC1)NC(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H18N2O3/c1-2-11(7-9-3-4-9)16-13(17)10-5-6-15-12(8-10)14(18)19/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyHBKYQGLBVQQOOO-UHFFFAOYSA-N
XLogP2.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpentan-3-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113263127
4-[1-(oxolan-3-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 113263165
5-(1-cyclopropylbutan-2-ylcarbamoyl)furan-3-carboxylic acid
CID 104607621
N-(1-cyclopropylbutan-2-yl)-5-iodothiophene-3-carboxamide
CID 78958436
6-amino-N-(1-cyclopropylbutan-2-yl)pyridine-3-carboxamide
CID 63994023
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
N-(1-cyclopropylbutan-2-yl)-3-methyl-4-(methylamino)benzamide
CID 63994419
6-(1-cyclopropylbutan-2-ylcarbamoyl)-2-methylpyridine-3-carboxylic acid
CID 63996569
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 119184880
4-amino-N-(1-cyclopropylbutan-2-yl)-3,5-difluorobenzamide
CID 63994420
4-(4-ethylsulfanylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 115730415
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid (CID 113385031) is 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid is CCC(CC1CC1)NC(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
The InChIKey is HBKYQGLBVQQOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-11(7-9-3-4-9)16-13(17)10-5-6-15-12(8-10)14(18)19/h5-6,8-9,11H,2-4,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid?
4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylbutan-2-ylcarbamoyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 113385031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).