3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide

C17H25N3O — CID 105070330

IUPAC3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H25N3O/c1-16(2)11-5-7-17(3,9-11)15(16)20-14(21)12-6-8-19-10-13(12)18-4/h6,8,10-11,15,18H,5,7,9H2,1-4H3,(H,20,21)
InChIKeyVOFPWEXGCZVTNH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.07
Rot. Bonds3

About 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide

3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide (PubChem CID 105070330) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide
PubChem CID105070330
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NC1C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C17H25N3O/c1-16(2)11-5-7-17(3,9-11)15(16)20-14(21)12-6-8-19-10-13(12)18-4/h6,8,10-11,15,18H,5,7,9H2,1-4H3,(H,20,21)
InChIKeyVOFPWEXGCZVTNH-UHFFFAOYSA-N
XLogP3.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide (CID 105070330) is 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide is CNc1cnccc1C(=O)NC1C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide?
The InChIKey is VOFPWEXGCZVTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-16(2)11-5-7-17(3,9-11)15(16)20-14(21)12-6-8-19-10-13(12)18-4/h6,8,10-11,15,18H,5,7,9H2,1-4H3,(H,20,21).
What are the key properties of 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide?
3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide is sourced from PubChem (CID 105070330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).