6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide

C18H15ClN4O2 — CID 87158063

IUPAC6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Oc2cccc(Cl)n2)nc1)c1cccnc1
InChIInChI=1S/C18H15ClN4O2/c1-2-23(14-5-4-10-20-12-14)18(24)13-8-9-16(21-11-13)25-17-7-3-6-15(19)22-17/h3-12H,2H2,1H3
InChIKeyIMCSGUVCXGPBNH-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.98
Rot. Bonds5

About 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide

6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 87158063) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID87158063
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCN(C(=O)c1ccc(Oc2cccc(Cl)n2)nc1)c1cccnc1
InChIInChI=1S/C18H15ClN4O2/c1-2-23(14-5-4-10-20-12-14)18(24)13-8-9-16(21-11-13)25-17-7-3-6-15(19)22-17/h3-12H,2H2,1H3
InChIKeyIMCSGUVCXGPBNH-UHFFFAOYSA-N
XLogP3.98
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N-triethyl-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 46932084
4-[acetyl(methyl)amino]-N-ethyl-N-pyridin-3-ylbenzamide
CID 59607196
6-methoxy-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 59607054
N-ethyl-N-phenyl-3-pyridin-2-yloxybenzamide
CID 90596664
5-chloro-N-ethyl-2-methoxy-N-pyridin-3-ylbenzamide
CID 56827227
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
N-ethyl-6-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 110865026
3-[(6-chloro-2-pyridinyl)oxy]propyl pyridine-3-carboxylate
CID 99800461
N-pyridin-3-yl-3-pyridin-2-yloxy-N-(2,2,2-trifluoroethyl)benzamide
CID 90596802
N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87002105
N-ethyl-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 110857873
2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide (CID 87158063) is 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide is CCN(C(=O)c1ccc(Oc2cccc(Cl)n2)nc1)c1cccnc1.
What is the InChIKey of 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is IMCSGUVCXGPBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-2-23(14-5-4-10-20-12-14)18(24)13-8-9-16(21-11-13)25-17-7-3-6-15(19)22-17/h3-12H,2H2,1H3.
What are the key properties of 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide?
6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-2-pyridinyl)oxy]-N-ethyl-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 87158063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).