N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H18N2O2 — CID 42921714

IUPACN-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC3CCC2C3)cn1
InChIInChI=1S/C14H18N2O2/c1-18-13-5-4-11(8-15-13)16-14(17)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCKARRUSXYUSTBY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.46
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 42921714) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID42921714
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC3CCC2C3)cn1
InChIInChI=1S/C14H18N2O2/c1-18-13-5-4-11(8-15-13)16-14(17)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCKARRUSXYUSTBY-UHFFFAOYSA-N
XLogP2.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 42921714) is N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(NC(=O)C2CC3CCC2C3)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CKARRUSXYUSTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-5-4-11(8-15-13)16-14(17)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 42921714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).