(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide

C17H22N2O — CID 98086099

IUPAC(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NCc1ccccn1)C2
InChIInChI=1S/C17H22N2O/c1-12-16(2,3)13-7-8-17(12,10-13)15(20)19-11-14-6-4-5-9-18-14/h4-6,9,13H,1,7-8,10-11H2,2-3H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyUAEYQRVYZONRCN-DYVFJYSZSA-N
MW270.38 g/mol
LogP3.08
Rot. Bonds3

About (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide

(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 98086099) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID98086099
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NCc1ccccn1)C2
InChIInChI=1S/C17H22N2O/c1-12-16(2,3)13-7-8-17(12,10-13)15(20)19-11-14-6-4-5-9-18-14/h4-6,9,13H,1,7-8,10-11H2,2-3H3,(H,19,20)/t13-,17+/m1/s1
InChIKeyUAEYQRVYZONRCN-DYVFJYSZSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 7393392
1-phenyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 30944923
15-ethyl-N-(pyridin-2-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142853960
1-N'-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970618
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 110438421
methyl 2-[[(1R,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 906543
(1R,4R)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 135956704
(1S,4S)-N-(4-iodophenyl)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxamide
CID 7366961
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
1-cyano-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 80599426
sodium 3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carboxylate
CID 23666915

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide (CID 98086099) is (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide is C=C1C(C)(C)[C@@H]2CC[C@]1(C(=O)NCc1ccccn1)C2.
What is the InChIKey of (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is UAEYQRVYZONRCN-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-16(2,3)13-7-8-17(12,10-13)15(20)19-11-14-6-4-5-9-18-14/h4-6,9,13H,1,7-8,10-11H2,2-3H3,(H,19,20)/t13-,17+/m1/s1.
What are the key properties of (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide?
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 98086099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).