N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide

C22H22N4O2 — CID 113020496

IUPACN-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)24-18-8-5-9-19(14-18)25-21-12-11-20(15-23-21)26-22(28)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15H,10,13H2,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyCXLXZDCILMKRPX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.35
Rot. Bonds7

About N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide

N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 113020496) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
PubChem CID113020496
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)24-18-8-5-9-19(14-18)25-21-12-11-20(15-23-21)26-22(28)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15H,10,13H2,1H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyCXLXZDCILMKRPX-UHFFFAOYSA-N
XLogP4.35
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113020511
N-[6-(2-methylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016114
N-[6-(2,4-dimethylanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113016782
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[6-(3-acetamidoanilino)-3-pyridinyl]furan-2-carboxamide
CID 113020477
N-[5-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]-3-phenylpropanamide
CID 113037695
3-phenyl-N-[5-(2-phenylethylamino)-2-pyridinyl]propanamide
CID 113028011
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196
N-[6-(3-methylbutylamino)-3-pyridinyl]-3-phenylpropanamide
CID 113015098
4-[6-[[5-[3-(3-acetamidophenyl)propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 175076884

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide (CID 113020496) is N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)CCc3ccccc3)cn2)c1.
What is the InChIKey of N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is CXLXZDCILMKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)24-18-8-5-9-19(14-18)25-21-12-11-20(15-23-21)26-22(28)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15H,10,13H2,1H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide?
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 374.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 113020496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).