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

C18H20ClN3O — CID 113033361

IUPACN-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)cn1)C1CCCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-6-8-15(9-7-14)21-16-10-11-17(20-12-16)22-18(23)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H,20,22,23)
InChIKeyHAAGAKGPQZIAGY-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.00
Rot. Bonds4

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

N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113033361) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113033361
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)cn1)C1CCCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-6-8-15(9-7-14)21-16-10-11-17(20-12-16)22-18(23)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H,20,22,23)
InChIKeyHAAGAKGPQZIAGY-UHFFFAOYSA-N
XLogP5.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113034331
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
CID 113036586
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide (CID 113033361) is N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2)cn1)C1CCCCC1.
What is the InChIKey of N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is HAAGAKGPQZIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-6-8-15(9-7-14)21-16-10-11-17(20-12-16)22-18(23)13-4-2-1-3-5-13/h6-13,21H,1-5H2,(H,20,22,23).
What are the key properties of N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide?
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 329.83 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113033361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).