N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide

C13H16N2O — CID 125073491

IUPACN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccnc1
InChIInChI=1S/C13H16N2O/c16-13(11-2-1-5-14-8-11)15-12-7-9-3-4-10(12)6-9/h1-2,5,8-10,12H,3-4,6-7H2,(H,15,16)/t9-,10-,12-/m0/s1
InChIKeyINCQWLCAGQRTMV-NHCYSSNCSA-N
MW216.28 g/mol
LogP2.00
Rot. Bonds2

About N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide (PubChem CID 125073491) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
PubChem CID125073491
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccnc1
InChIInChI=1S/C13H16N2O/c16-13(11-2-1-5-14-8-11)15-12-7-9-3-4-10(12)6-9/h1-2,5,8-10,12H,3-4,6-7H2,(H,15,16)/t9-,10-,12-/m0/s1
InChIKeyINCQWLCAGQRTMV-NHCYSSNCSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-fluorobenzamide
CID 100580644
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)pyridine-3-carboxamide
CID 81245437
N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 171149979
N-cyclopentylpyridine-3-carboxamide
CID 805532
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
CID 142751130
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide (CID 125073491) is N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide is O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccnc1.
What is the InChIKey of N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
The InChIKey is INCQWLCAGQRTMV-NHCYSSNCSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(11-2-1-5-14-8-11)15-12-7-9-3-4-10(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 N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide?
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide has a molecular weight of 216.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide is sourced from PubChem (CID 125073491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).