(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide

C13H16N2O — CID 790200

IUPAC(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H16N2O/c16-13(15-11-2-1-5-14-8-11)12-7-9-3-4-10(12)6-9/h1-2,5,8-10,12H,3-4,6-7H2,(H,15,16)/t9-,10+,12+/m0/s1
InChIKeyHFOFBRTWHXZMTL-HOSYDEDBSA-N
MW216.28 g/mol
LogP2.46
Rot. Bonds2

About (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 790200) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID790200
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H16N2O/c16-13(15-11-2-1-5-14-8-11)12-7-9-3-4-10(12)6-9/h1-2,5,8-10,12H,3-4,6-7H2,(H,15,16)/t9-,10+,12+/m0/s1
InChIKeyHFOFBRTWHXZMTL-HOSYDEDBSA-N
XLogP2.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-methyl-N-pyridin-3-ylcyclopropane-1-carboxamide
CID 131159605
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98752390
N-pyridin-3-yl-1-azabicyclo[2.2.2]octane-3-carboxamide
CID 10263302
(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
(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
trans-(1S,2S)-2-(pyridin-3-ylcarbamoyl)cyclohexane-1-carboxylate
CID 6950908
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
2-methyl-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 79383379

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 790200) is (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cccnc1)[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HFOFBRTWHXZMTL-HOSYDEDBSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(15-11-2-1-5-14-8-11)12-7-9-3-4-10(12)6-9/h1-2,5,8-10,12H,3-4,6-7H2,(H,15,16)/t9-,10+,12+/m0/s1.
What are the key properties of (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 790200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).