2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid

C15H20N2O2 — CID 63685394

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC2CC3CCC2C3)n1
InChIInChI=1S/C15H20N2O2/c1-9-2-5-13(15(18)19)14(17-9)16-8-12-7-10-3-4-11(12)6-10/h2,5,10-12H,3-4,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyHIACGIHKQDRCGF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.94
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid

2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid (PubChem CID 63685394) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid
PubChem CID63685394
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(NCC2CC3CCC2C3)n1
InChIInChI=1S/C15H20N2O2/c1-9-2-5-13(15(18)19)14(17-9)16-8-12-7-10-3-4-11(12)6-10/h2,5,10-12H,3-4,6-8H2,1H3,(H,16,17)(H,18,19)
InChIKeyHIACGIHKQDRCGF-UHFFFAOYSA-N
XLogP2.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxycyclopentyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 106137549
2-(2-bicyclo[2.2.1]heptanylmethylamino)-5-methylbenzoic acid
CID 63681993
2-(2-cyclopentylethylamino)-6-methylpyridine-3-carboxylic acid
CID 55223076
5-(2-bicyclo[2.2.1]heptanylmethylamino)pyridine-2-carboxylic acid
CID 115490922
2-(2-cyclopentyloxyethylamino)-6-methylpyridine-3-carboxylic acid
CID 63834345
2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 115455529
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-methylpyridine-3-carboxylic acid
CID 62710131
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80817925
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloroquinazolin-4-amine
CID 63687023
3-(2-bicyclo[2.2.1]heptanylmethylsulfonyl)-2-methylbenzoic acid
CID 81436656
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012
2-(1-hydroxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 63264614

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid (CID 63685394) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(NCC2CC3CCC2C3)n1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is HIACGIHKQDRCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-2-5-13(15(18)19)14(17-9)16-8-12-7-10-3-4-11(12)6-10/h2,5,10-12H,3-4,6-8H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid?
2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 63685394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).