N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide

C22H23N3O — CID 113016782

IUPACN-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H23N3O/c1-16-8-11-20(17(2)14-16)25-21-12-10-19(15-23-21)24-22(26)13-9-18-6-4-3-5-7-18/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVCAQESRWBHBHBT-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.01
Rot. Bonds6

About N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide

N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 113016782) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
PubChem CID113016782
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)c(C)c1
InChIInChI=1S/C22H23N3O/c1-16-8-11-20(17(2)14-16)25-21-12-10-19(15-23-21)24-22(26)13-9-18-6-4-3-5-7-18/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyVCAQESRWBHBHBT-UHFFFAOYSA-N
XLogP5.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[6-(2,5-dimethylanilino)-3-pyridinyl]-2-phenylacetamide
CID 113016876
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113016779
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-2-fluorobenzamide
CID 18419487
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
N-[5-(2,4-dimethylanilino)-2-pyridinyl]benzamide
CID 113031952
2,6-dichloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 18419410

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide (CID 113016782) is N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide is Cc1ccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)c(C)c1.
What is the InChIKey of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is VCAQESRWBHBHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-16-8-11-20(17(2)14-16)25-21-12-10-19(15-23-21)24-22(26)13-9-18-6-4-3-5-7-18/h3-8,10-12,14-15H,9,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide?
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113016782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).