N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide

C18H20ClN3O — CID 113018586

IUPACN-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)nc1)C1CCCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-6-8-15(9-7-14)21-17-11-10-16(12-20-17)22-18(23)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,20,21)(H,22,23)
InChIKeyTUVYYCDGERPRIX-UHFFFAOYSA-N
MW329.83 g/mol
LogP5.00
Rot. Bonds4

About N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide

N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 113018586) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
PubChem CID113018586
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Cl)cc2)nc1)C1CCCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-6-8-15(9-7-14)21-17-11-10-16(12-20-17)22-18(23)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,20,21)(H,22,23)
InChIKeyTUVYYCDGERPRIX-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-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[6-(2,5-dichloroanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113022258
N-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113022471
N-[6-(tert-butylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113014760
N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113019012
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-[6-(3-bromo-4-methylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113019263
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]cyclobutanecarboxamide
CID 113036586
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide (CID 113018586) is N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1ccc(Nc2ccc(Cl)cc2)nc1)C1CCCCC1.
What is the InChIKey of N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is TUVYYCDGERPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-6-8-15(9-7-14)21-17-11-10-16(12-20-17)22-18(23)13-4-2-1-3-5-13/h6-13H,1-5H2,(H,20,21)(H,22,23).
What are the key properties of N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide?
N-[6-(4-chloroanilino)-3-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-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113018586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).