5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid

C14H18N2O2 — CID 115490922

IUPAC5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CC3CCC2C3)cn1
InChIInChI=1S/C14H18N2O2/c17-14(18)13-4-3-12(8-16-13)15-7-11-6-9-1-2-10(11)5-9/h3-4,8-11,15H,1-2,5-7H2,(H,17,18)
InChIKeyNMRDESKRINYQJD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.63
Rot. Bonds4

About 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid

5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid (PubChem CID 115490922) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
PubChem CID115490922
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CC3CCC2C3)cn1
InChIInChI=1S/C14H18N2O2/c17-14(18)13-4-3-12(8-16-13)15-7-11-6-9-1-2-10(11)5-9/h3-4,8-11,15H,1-2,5-7H2,(H,17,18)
InChIKeyNMRDESKRINYQJD-UHFFFAOYSA-N
XLogP2.63
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]methyl]pyridine-2-carboxylic acid
CID 81091312
5-(oxan-4-ylmethylamino)pyridine-2-carboxylic acid
CID 115490926
5-[2-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685339
5-[(1,1-dioxothiolan-2-yl)methylamino]pyridine-2-carboxylic acid
CID 113321675
2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 63685394
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
5-[(2-bicyclo[2.2.1]heptanylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090023
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-3-(trifluoromethyl)aniline
CID 79554761
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(4-fluorophenyl)urea
CID 43835669
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-benzothiazol-6-amine
CID 114003116
5-[(4-methylmorpholin-2-yl)methylamino]pyridine-2-carboxylic acid
CID 115490999

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid (CID 115490922) is 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid is O=C(O)c1ccc(NCC2CC3CCC2C3)cn1.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is NMRDESKRINYQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-14(18)13-4-3-12(8-16-13)15-7-11-6-9-1-2-10(11)5-9/h3-4,8-11,15H,1-2,5-7H2,(H,17,18).
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid?
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 115490922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).