5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid

C16H20N2O3 — CID 81091312

IUPAC5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(CC1CC2CCC1C2)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C16H20N2O3/c19-15(7-13-6-10-1-3-12(13)5-10)18-9-11-2-4-14(16(20)21)17-8-11/h2,4,8,10,12-13H,1,3,5-7,9H2,(H,18,19)(H,20,21)
InChIKeyOBJZBJNDNHDYKQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.22
Rot. Bonds5

About 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid

5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 81091312) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID81091312
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
SMILESO=C(CC1CC2CCC1C2)NCc1ccc(C(=O)O)nc1
InChIInChI=1S/C16H20N2O3/c19-15(7-13-6-10-1-3-12(13)5-10)18-9-11-2-4-14(16(20)21)17-8-11/h2,4,8,10,12-13H,1,3,5-7,9H2,(H,18,19)(H,20,21)
InChIKeyOBJZBJNDNHDYKQ-UHFFFAOYSA-N
XLogP2.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023
N-benzyl-2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 7732664
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 11938740
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11915183
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 11929369
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544787
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
CID 115490922
2-(2-bicyclo[2.2.1]heptanyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 19292382
1-[3-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120630002
3-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]-1-benzothiophene-2-carboxylic acid
CID 166224786
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 122111013

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid (CID 81091312) is 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid is O=C(CC1CC2CCC1C2)NCc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is OBJZBJNDNHDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(7-13-6-10-1-3-12(13)5-10)18-9-11-2-4-14(16(20)21)17-8-11/h2,4,8,10,12-13H,1,3,5-7,9H2,(H,18,19)(H,20,21).
What are the key properties of 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid?
5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81091312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).