2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide

C11H14ClN3O2 — CID 55190561

IUPAC2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2CCCOC2)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-7(5-10(13)15-9)11(16)14-8-2-1-3-17-6-8/h4-5,8H,1-3,6H2,(H2,13,15)(H,14,16)
InChIKeyHIFYJOCYPOXXMW-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.23
Rot. Bonds2

About 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide

2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide (PubChem CID 55190561) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
PubChem CID55190561
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2CCCOC2)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c12-9-4-7(5-10(13)15-9)11(16)14-8-2-1-3-17-6-8/h4-5,8H,1-3,6H2,(H2,13,15)(H,14,16)
InChIKeyHIFYJOCYPOXXMW-UHFFFAOYSA-N
XLogP1.23
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
2,6-dichloro-N-cyclohexylpyridine-4-carboxamide
CID 26719449
2-amino-6-chloro-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 55042052
2-amino-N-[(3S)-oxolan-3-yl]pyridine-4-carboxamide
CID 121352227
3-amino-N-(oxan-3-yl)-1H-pyrazole-5-carboxamide
CID 64525648
2-amino-6-chloro-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 62159652
4-chloro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63599170
2-amino-6-chloro-N-(2-methylcyclopentyl)pyridine-4-carboxamide
CID 63279653
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 113429248
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
2-amino-6-chloro-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 55041983

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide (CID 55190561) is 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide is Nc1cc(C(=O)NC2CCCOC2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide?
The InChIKey is HIFYJOCYPOXXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-9-4-7(5-10(13)15-9)11(16)14-8-2-1-3-17-6-8/h4-5,8H,1-3,6H2,(H2,13,15)(H,14,16).
What are the key properties of 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 55190561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).