6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide

C12H14ClN3O2 — CID 80602684

IUPAC6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NC2CC3CCC2O3)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c13-8-3-6(5-15-11(8)14)12(17)16-9-4-7-1-2-10(9)18-7/h3,5,7,9-10H,1-2,4H2,(H2,14,15)(H,16,17)
InChIKeyJZPOUKVKEXBAJD-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.37
Rot. Bonds2

About 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide

6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide (PubChem CID 80602684) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
PubChem CID80602684
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide
SMILESNc1ncc(C(=O)NC2CC3CCC2O3)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c13-8-3-6(5-15-11(8)14)12(17)16-9-4-7-1-2-10(9)18-7/h3,5,7,9-10H,1-2,4H2,(H2,14,15)(H,16,17)
InChIKeyJZPOUKVKEXBAJD-UHFFFAOYSA-N
XLogP1.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4,5-dichloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80715634
4-amino-3-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80719465
6-amino-5-chloro-N-(2,4-dimethylcyclohexyl)pyridine-3-carboxamide
CID 63999211
3,5-diamino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 80716270
6-amino-5-chloro-N-cyclooctylpyridine-3-carboxamide
CID 62152170
6-amino-5-chloro-N-(4-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62155376
6-amino-5-chloro-N-hydroxypyridine-3-carboxamide
CID 130615065
2-chloro-5-hydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 106502018
4-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
CID 80732802
3,4-dihydroxy-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzamide
CID 113358348
6-amino-5-chloro-N-[(2S,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 97242983
3-chloro-6-hydrazinyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-2-carboxamide
CID 80732430

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide (CID 80602684) is 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide is Nc1ncc(C(=O)NC2CC3CCC2O3)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
The InChIKey is JZPOUKVKEXBAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c13-8-3-6(5-15-11(8)14)12(17)16-9-4-7-1-2-10(9)18-7/h3,5,7,9-10H,1-2,4H2,(H2,14,15)(H,16,17).
What are the key properties of 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide?
6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 80602684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).