N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide

C22H22N4O2 — CID 113020511

IUPACN-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)12-22(28)26-20-10-11-21(23-14-20)25-19-5-3-4-18(13-19)24-16(2)27/h3-11,13-14H,12H2,1-2H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyOBOOQENJCNUMHX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.27
Rot. Bonds6

About N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide

N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (PubChem CID 113020511) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
PubChem CID113020511
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)cn2)c1
InChIInChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)12-22(28)26-20-10-11-21(23-14-20)25-19-5-3-4-18(13-19)24-16(2)27/h3-11,13-14H,12H2,1-2H3,(H,23,25)(H,24,27)(H,26,28)
InChIKeyOBOOQENJCNUMHX-UHFFFAOYSA-N
XLogP4.27
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018544
N-[6-(3-acetamidoanilino)-3-pyridinyl]-3-phenylpropanamide
CID 113020496
N-[6-(3-methylanilino)-3-pyridinyl]-3-oxobutanamide
CID 110179055
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-[6-(2-fluoroanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113018239
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016196

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide (CID 113020511) is N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide is CC(=O)Nc1cccc(Nc2ccc(NC(=O)Cc3ccc(C)cc3)cn2)c1.
What is the InChIKey of N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
The InChIKey is OBOOQENJCNUMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-6-8-17(9-7-15)12-22(28)26-20-10-11-21(23-14-20)25-19-5-3-4-18(13-19)24-16(2)27/h3-11,13-14H,12H2,1-2H3,(H,23,25)(H,24,27)(H,26,28).
What are the key properties of N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide?
N-[6-(3-acetamidoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.27, 6 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]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 113020511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).