(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C14H18N2O — CID 98280304

IUPAC(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1
InChIInChI=1S/C14H18N2O/c1-9-2-5-13(15-8-9)16-14(17)12-7-10-3-4-11(12)6-10/h2,5,8,10-12H,3-4,6-7H2,1H3,(H,15,16,17)/t10-,11-,12-/m1/s1
InChIKeyPDDLHYIRLMYPHK-IJLUTSLNSA-N
MW230.31 g/mol
LogP2.76
Rot. Bonds2

About (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98280304) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98280304
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1
InChIInChI=1S/C14H18N2O/c1-9-2-5-13(15-8-9)16-14(17)12-7-10-3-4-11(12)6-10/h2,5,8,10-12H,3-4,6-7H2,1H3,(H,15,16,17)/t10-,11-,12-/m1/s1
InChIKeyPDDLHYIRLMYPHK-IJLUTSLNSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150
N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65098597
N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61364724
2-(2-bicyclo[2.2.1]heptanyl)-N-(5-methyl-2-pyridinyl)acetamide
CID 51188825
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
3,4-dimethyl-6-[(5-methyl-2-pyridinyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6467718
(1R,2R,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278427
N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47289727
(1R,2S,4R)-N-(4,6-dimethyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98278428
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 98280304) is (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)nc1.
What is the InChIKey of (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PDDLHYIRLMYPHK-IJLUTSLNSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-2-5-13(15-8-9)16-14(17)12-7-10-3-4-11(12)6-10/h2,5,8,10-12H,3-4,6-7H2,1H3,(H,15,16,17)/t10-,11-,12-/m1/s1.
What are the key properties of (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98280304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).