N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C12H14ClN3O — CID 83166662

IUPACN-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cnccc1Cl)C1CC2CCC1N2
InChIInChI=1S/C12H14ClN3O/c13-9-3-4-14-6-11(9)16-12(17)8-5-7-1-2-10(8)15-7/h3-4,6-8,10,15H,1-2,5H2,(H,16,17)
InChIKeyNQTSUKMZFZSNFP-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.81
Rot. Bonds2

About N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 83166662) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID83166662
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cnccc1Cl)C1CC2CCC1N2
InChIInChI=1S/C12H14ClN3O/c13-9-3-4-14-6-11(9)16-12(17)8-5-7-1-2-10(8)15-7/h3-4,6-8,10,15H,1-2,5H2,(H,16,17)
InChIKeyNQTSUKMZFZSNFP-UHFFFAOYSA-N
XLogP1.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103814554
N-(6-oxo-1H-pyridazin-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 116786997
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(4-chloro-3-pyridinyl)prop-2-enamide
CID 83167019
N-(2-hydroxy-5-methoxyphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 102695453
2-(4-amino-3-pyridinyl)-1-(7-azabicyclo[2.2.1]heptan-2-yl)ethanone
CID 116575964
N-(4-chloro-3-pyridinyl)oxane-3-carboxamide
CID 103745000
N-(4-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 103670335
N-(2-cyano-4-fluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 82016005
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107805027
5-(aminomethyl)-N-(4-chloro-3-pyridinyl)oxolane-2-carboxamide
CID 83167410

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 83166662) is N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cnccc1Cl)C1CC2CCC1N2.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is NQTSUKMZFZSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-9-3-4-14-6-11(9)16-12(17)8-5-7-1-2-10(8)15-7/h3-4,6-8,10,15H,1-2,5H2,(H,16,17).
What are the key properties of N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 251.72 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 83166662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).