N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

C12H14ClN3O — CID 146075621

IUPACN-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1C2CCC1CC2
InChIInChI=1S/C12H14ClN3O/c13-11-6-1-8(7-14-11)15-12(17)16-9-2-3-10(16)5-4-9/h1,6-7,9-10H,2-5H2,(H,15,17)
InChIKeyNMCURNMVMZSUTG-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.89
Rot. Bonds1

About N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (PubChem CID 146075621) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
PubChem CID146075621
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1C2CCC1CC2
InChIInChI=1S/C12H14ClN3O/c13-11-6-1-8(7-14-11)15-12(17)16-9-2-3-10(16)5-4-9/h1,6-7,9-10H,2-5H2,(H,15,17)
InChIKeyNMCURNMVMZSUTG-UHFFFAOYSA-N
XLogP2.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
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N-(6-chloro-3-pyridinyl)-2-cyclopentylacetamide
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N-(3-chloro-4-methylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
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N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
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CID 102945567
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
N-(6-chloro-3-pyridinyl)-5-methyl-2-azaspiro[5.5]undecane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (CID 146075621) is N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is O=C(Nc1ccc(Cl)nc1)N1C2CCC1CC2.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The InChIKey is NMCURNMVMZSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c13-11-6-1-8(7-14-11)15-12(17)16-9-2-3-10(16)5-4-9/h1,6-7,9-10H,2-5H2,(H,15,17).
What are the key properties of N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide has a molecular weight of 251.72 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is sourced from PubChem (CID 146075621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).