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

C13H16N2O — CID 98329182

IUPAC(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H16N2O/c16-13(15-12-3-1-2-6-14-12)11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2,(H,14,15,16)/t9-,10-,11-/m0/s1
InChIKeyICUGUWHKSGQUFZ-DCAQKATOSA-N
MW216.28 g/mol
LogP2.46
Rot. Bonds2

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

(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98329182) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98329182
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccccn1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C13H16N2O/c16-13(15-12-3-1-2-6-14-12)11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2,(H,14,15,16)/t9-,10-,11-/m0/s1
InChIKeyICUGUWHKSGQUFZ-DCAQKATOSA-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

(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98730671
(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150
N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61364724
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65098597
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
(1S,2R,4S)-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7471796
(1S,2S,4S)-N-(3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7083370
(1R,2R,4R)-N-(2-bromophenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6952490
N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47289727

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 98329182) is (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccccn1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ICUGUWHKSGQUFZ-DCAQKATOSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(15-12-3-1-2-6-14-12)11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2,(H,14,15,16)/t9-,10-,11-/m0/s1.
What are the key properties of (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-pyridin-2-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 (1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98329182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).