N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide

C29H26N4O3 — CID 67746022

IUPACN-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ncccc2C(=O)c2cccnc2-c2ccc(C)c(NC(C)=O)c2)ccc1C
InChIInChI=1S/C29H26N4O3/c1-17-9-11-21(15-25(17)32-19(3)34)27-23(7-5-13-30-27)29(36)24-8-6-14-31-28(24)22-12-10-18(2)26(16-22)33-20(4)35/h5-16H,1-4H3,(H,32,34)(H,33,35)
InChIKeyTZHCUELPVRNZOT-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.58
Rot. Bonds6

About N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide

N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide (PubChem CID 67746022) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide
PubChem CID67746022
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ncccc2C(=O)c2cccnc2-c2ccc(C)c(NC(C)=O)c2)ccc1C
InChIInChI=1S/C29H26N4O3/c1-17-9-11-21(15-25(17)32-19(3)34)27-23(7-5-13-30-27)29(36)24-8-6-14-31-28(24)22-12-10-18(2)26(16-22)33-20(4)35/h5-16H,1-4H3,(H,32,34)(H,33,35)
InChIKeyTZHCUELPVRNZOT-UHFFFAOYSA-N
XLogP5.58
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide (CID 67746022) is N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(-c2ncccc2C(=O)c2cccnc2-c2ccc(C)c(NC(C)=O)c2)ccc1C.
What is the InChIKey of N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide?
The InChIKey is TZHCUELPVRNZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c1-17-9-11-21(15-25(17)32-19(3)34)27-23(7-5-13-30-27)29(36)24-8-6-14-31-28(24)22-12-10-18(2)26(16-22)33-20(4)35/h5-16H,1-4H3,(H,32,34)(H,33,35).
What are the key properties of N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide?
N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[2-(3-acetamido-4-methylphenyl)pyridine-3-carbonyl]-2-pyridinyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 67746022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).