N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

C16H19ClN2O — CID 3817673

IUPACN-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)Nc3ccc(Cl)cn3)CCC(C2)C1(C)C
InChIInChI=1S/C16H19ClN2O/c1-10-15(2,3)11-6-7-16(10,8-11)14(20)19-13-5-4-12(17)9-18-13/h4-5,9,11H,1,6-8H2,2-3H3,(H,18,19,20)
InChIKeyPZHJHTSFTIEPIF-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.06
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide

N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 3817673) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
PubChem CID3817673
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)Nc3ccc(Cl)cn3)CCC(C2)C1(C)C
InChIInChI=1S/C16H19ClN2O/c1-10-15(2,3)11-6-7-16(10,8-11)14(20)19-13-5-4-12(17)9-18-13/h4-5,9,11H,1,6-8H2,2-3H3,(H,18,19,20)
InChIKeyPZHJHTSFTIEPIF-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide (CID 3817673) is N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)Nc3ccc(Cl)cn3)CCC(C2)C1(C)C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is PZHJHTSFTIEPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-15(2,3)11-6-7-16(10,8-11)14(20)19-13-5-4-12(17)9-18-13/h4-5,9,11H,1,6-8H2,2-3H3,(H,18,19,20).
What are the key properties of N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide?
N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 3817673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).