5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid

C15H21N3O2 — CID 114406641

IUPAC5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCN(CC1CC2CCC1C2)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C15H21N3O2/c1-18(8-11-7-9-2-3-10(11)6-9)14-12(16)4-5-13(17-14)15(19)20/h4-5,9-11H,2-3,6-8,16H2,1H3,(H,19,20)
InChIKeyILTWUHDVLZETPY-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid

5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid (PubChem CID 114406641) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
PubChem CID114406641
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
SMILESCN(CC1CC2CCC1C2)c1nc(C(=O)O)ccc1N
InChIInChI=1S/C15H21N3O2/c1-18(8-11-7-9-2-3-10(11)6-9)14-12(16)4-5-13(17-14)15(19)20/h4-5,9-11H,2-3,6-8,16H2,1H3,(H,19,20)
InChIKeyILTWUHDVLZETPY-UHFFFAOYSA-N
XLogP2.23
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-fluoropyridine-4-carboxylic acid
CID 105382343
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63682341
6-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-N-methylpyridine-2,6-diamine
CID 80652293
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-2-N,4-dimethylpyridine-2,5-diamine
CID 104506859
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63682509
5-amino-6-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxylic acid
CID 107203250
5-amino-6-[1-cyclopropylethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114405528
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80833913
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 63681607
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
5-amino-6-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyridine-2-carboxylic acid
CID 114406077

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid (CID 114406641) is 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid is CN(CC1CC2CCC1C2)c1nc(C(=O)O)ccc1N.
What is the InChIKey of 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ILTWUHDVLZETPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(8-11-7-9-2-3-10(11)6-9)14-12(16)4-5-13(17-14)15(19)20/h4-5,9-11H,2-3,6-8,16H2,1H3,(H,19,20).
What are the key properties of 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid?
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114406641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).