N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide

C20H26N4O — CID 113035496

IUPACN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-24(2)18-11-8-16(9-12-18)22-17-10-13-19(21-14-17)23-20(25)15-6-4-3-5-7-15/h8-15,22H,3-7H2,1-2H3,(H,21,23,25)
InChIKeyMFCOSABJXRESQJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.41
Rot. Bonds5

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

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide (PubChem CID 113035496) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
PubChem CID113035496
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c1-24(2)18-11-8-16(9-12-18)22-17-10-13-19(21-14-17)23-20(25)15-6-4-3-5-7-15/h8-15,22H,3-7H2,1-2H3,(H,21,23,25)
InChIKeyMFCOSABJXRESQJ-UHFFFAOYSA-N
XLogP4.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-(4-ethoxyanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113034331
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
N-[6-(4-chloroanilino)-3-pyridinyl]cyclohexanecarboxamide
CID 113018586
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[5-(3,4-difluoroanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113037624
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-[5-(2,6-dimethylanilino)-2-pyridinyl]cyclobutanecarboxamide
CID 113032282
N-[5-(3,4-dimethylanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113032093

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide (CID 113035496) is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide is CN(C)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)nc2)cc1.
What is the InChIKey of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide?
The InChIKey is MFCOSABJXRESQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-24(2)18-11-8-16(9-12-18)22-17-10-13-19(21-14-17)23-20(25)15-6-4-3-5-7-15/h8-15,22H,3-7H2,1-2H3,(H,21,23,25).
What are the key properties of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide?
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 113035496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).