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

C21H22N4O — CID 113035518

IUPACN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-25(2)19-11-8-17(9-12-19)23-18-10-13-20(22-15-18)24-21(26)14-16-6-4-3-5-7-16/h3-13,15,23H,14H2,1-2H3,(H,22,24,26)
InChIKeyNCJBRMCRRWDIDG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.07
Rot. Bonds6

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

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide (PubChem CID 113035518) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
PubChem CID113035518
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-25(2)19-11-8-17(9-12-19)23-18-10-13-20(22-15-18)24-21(26)14-16-6-4-3-5-7-16/h3-13,15,23H,14H2,1-2H3,(H,22,24,26)
InChIKeyNCJBRMCRRWDIDG-UHFFFAOYSA-N
XLogP4.07
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.07
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-(dimethylamino)anilino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113035538
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
CID 113033886
methyl 4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035396
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide (CID 113035518) is N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide is CN(C)c1ccc(Nc2ccc(NC(=O)Cc3ccccc3)nc2)cc1.
What is the InChIKey of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is NCJBRMCRRWDIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-25(2)19-11-8-17(9-12-19)23-18-10-13-20(22-15-18)24-21(26)14-16-6-4-3-5-7-16/h3-13,15,23H,14H2,1-2H3,(H,22,24,26).
What are the key properties of N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide?
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 346.43 g/mol, XLogP of 4.07, 6 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]-2-phenylacetamide is sourced from PubChem (CID 113035518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).