3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

C15H19N3O3 — CID 114765433

IUPAC3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1cc(C(N)=O)cc(NC2C3CCC(C3)C2C(=O)O)n1
InChIInChI=1S/C15H19N3O3/c1-7-4-10(14(16)19)6-11(17-7)18-13-9-3-2-8(5-9)12(13)15(20)21/h4,6,8-9,12-13H,2-3,5H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyBZPCEGQSFSNDTO-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.40
Rot. Bonds4

About 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 114765433) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID114765433
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCc1cc(C(N)=O)cc(NC2C3CCC(C3)C2C(=O)O)n1
InChIInChI=1S/C15H19N3O3/c1-7-4-10(14(16)19)6-11(17-7)18-13-9-3-2-8(5-9)12(13)15(20)21/h4,6,8-9,12-13H,2-3,5H2,1H3,(H2,16,19)(H,17,18)(H,20,21)
InChIKeyBZPCEGQSFSNDTO-UHFFFAOYSA-N
XLogP1.40
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid (CID 114765433) is 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is Cc1cc(C(N)=O)cc(NC2C3CCC(C3)C2C(=O)O)n1.
What is the InChIKey of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is BZPCEGQSFSNDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-7-4-10(14(16)19)6-11(17-7)18-13-9-3-2-8(5-9)12(13)15(20)21/h4,6,8-9,12-13H,2-3,5H2,1H3,(H2,16,19)(H,17,18)(H,20,21).
What are the key properties of 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid?
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 289.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 114765433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).