N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide

C15H14ClN3O3 — CID 118612917

IUPACN-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2COC2)cc(C(=O)Nc2cccc(Cl)n2)n1
InChIInChI=1S/C15H14ClN3O3/c1-9-5-10(22-11-7-21-8-11)6-12(17-9)15(20)19-14-4-2-3-13(16)18-14/h2-6,11H,7-8H2,1H3,(H,18,19,20)
InChIKeyJUBFQEJXODQFNM-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.47
Rot. Bonds4

About N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide

N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide (PubChem CID 118612917) has the molecular formula C15H14ClN3O3 and a molecular weight of 319.75 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide
PubChem CID118612917
Molecular FormulaC15H14ClN3O3
Molecular Weight319.75 g/mol
Exact Mass319.07
IUPAC NameN-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide
SMILESCc1cc(OC2COC2)cc(C(=O)Nc2cccc(Cl)n2)n1
InChIInChI=1S/C15H14ClN3O3/c1-9-5-10(22-11-7-21-8-11)6-12(17-9)15(20)19-14-4-2-3-13(16)18-14/h2-6,11H,7-8H2,1H3,(H,18,19,20)
InChIKeyJUBFQEJXODQFNM-UHFFFAOYSA-N
XLogP2.47
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-[(3R)-oxolan-3-yl]oxypyridine-2-carboxamide
CID 118613176
N-(5-fluoro-2-pyridinyl)-6-methyl-4-[(3S,5S)-5-methyloxolan-3-yl]oxypyridine-2-carboxamide
CID 155540022
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(thietan-3-yloxy)pyridine-2-carboxamide
CID 118612923
N-(6-chloro-2-pyridinyl)-2,6-dimethylpyridine-3-carboxamide
CID 115683291
5-amino-2,3-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 107185680
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
1-[6-methyl-4-[(3S)-oxan-3-yl]oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158122955
N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
2-chloro-6-methyl-N-(oxetan-3-yl)pyrimidine-4-carboxamide
CID 130485725
N-(6-chloro-2-pyridinyl)naphthalene-1-carboxamide
CID 115683288
N-(6-chloro-2-pyridinyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103841267
4-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 104820162

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide (CID 118612917) is N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide is Cc1cc(OC2COC2)cc(C(=O)Nc2cccc(Cl)n2)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
The InChIKey is JUBFQEJXODQFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O3/c1-9-5-10(22-11-7-21-8-11)6-12(17-9)15(20)19-14-4-2-3-13(16)18-14/h2-6,11H,7-8H2,1H3,(H,18,19,20).
What are the key properties of N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide?
N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide has a molecular weight of 319.75 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-6-methyl-4-(oxetan-3-yloxy)pyridine-2-carboxamide is sourced from PubChem (CID 118612917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).