N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide

C20H25N3O2 — CID 113034331

IUPACN-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)C3CCCCC3)nc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-11-8-16(9-12-18)22-17-10-13-19(21-14-17)23-20(24)15-6-4-3-5-7-15/h8-15,22H,2-7H2,1H3,(H,21,23,24)
InChIKeyDYCHWVPSGOVDQE-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.74
Rot. Bonds6

About N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide

N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113034331) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113034331
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)C3CCCCC3)nc2)cc1
InChIInChI=1S/C20H25N3O2/c1-2-25-18-11-8-16(9-12-18)22-17-10-13-19(21-14-17)23-20(24)15-6-4-3-5-7-15/h8-15,22H,2-7H2,1H3,(H,21,23,24)
InChIKeyDYCHWVPSGOVDQE-UHFFFAOYSA-N
XLogP4.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-cyclohexyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109183016
N-[5-(4-ethoxyanilino)-2-pyridinyl]benzamide
CID 113034337
N-[5-(3-methoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113034101
N-cyclopentyl-5-(4-ethoxyanilino)pyridine-2-carboxamide
CID 109182282
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
N-[5-(3,4,5-trimethoxyanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113036526

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide (CID 113034331) is N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide is CCOc1ccc(Nc2ccc(NC(=O)C3CCCCC3)nc2)cc1.
What is the InChIKey of N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is DYCHWVPSGOVDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-25-18-11-8-16(9-12-18)22-17-10-13-19(21-14-17)23-20(24)15-6-4-3-5-7-15/h8-15,22H,2-7H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide?
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 339.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113034331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).