6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid

C16H20N2O3 — CID 63686486

IUPAC6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H20N2O3/c1-18(9-13-7-10-2-3-11(13)6-10)15(19)14-5-4-12(8-17-14)16(20)21/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,20,21)
InChIKeyKPOMBAQZIWEBKL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.29
Rot. Bonds4

About 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid

6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63686486) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID63686486
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCN(CC1CC2CCC1C2)C(=O)c1ccc(C(=O)O)cn1
InChIInChI=1S/C16H20N2O3/c1-18(9-13-7-10-2-3-11(13)6-10)15(19)14-5-4-12(8-17-14)16(20)21/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,20,21)
InChIKeyKPOMBAQZIWEBKL-UHFFFAOYSA-N
XLogP2.29
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63682341
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 63686503
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide
CID 63685756
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 63681607
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
6-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyridine-3-carboxylic acid
CID 54995273
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191

Frequently Asked Questions

What is the IUPAC name of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid (CID 63686486) is 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid is CN(CC1CC2CCC1C2)C(=O)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is KPOMBAQZIWEBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-18(9-13-7-10-2-3-11(13)6-10)15(19)14-5-4-12(8-17-14)16(20)21/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,20,21).
What are the key properties of 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid?
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63686486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).