N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide

C26H27N5O3 — CID 117079357

IUPACN-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n2)cc1
InChIInChI=1S/C26H27N5O3/c1-18(32)27-21-10-12-22(13-11-21)28-25(33)24-5-3-4-23(29-24)19-6-8-20(9-7-19)26(34)31-16-14-30(2)15-17-31/h3-13H,14-17H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyUHZHXSYKGOCZTG-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.35
Rot. Bonds5

About N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide

N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide (PubChem CID 117079357) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
PubChem CID117079357
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n2)cc1
InChIInChI=1S/C26H27N5O3/c1-18(32)27-21-10-12-22(13-11-21)28-25(33)24-5-3-4-23(29-24)19-6-8-20(9-7-19)26(34)31-16-14-30(2)15-17-31/h3-13H,14-17H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyUHZHXSYKGOCZTG-UHFFFAOYSA-N
XLogP3.35
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619649
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942
N-[4-[(3-acetamidobenzoyl)amino]phenyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 163494503
N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 155945840
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 94646302
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
5-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylthiophene-2-carboxamide
CID 117091590
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide (CID 117079357) is N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide?
The InChIKey is UHZHXSYKGOCZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-18(32)27-21-10-12-22(13-11-21)28-25(33)24-5-3-4-23(29-24)19-6-8-20(9-7-19)26(34)31-16-14-30(2)15-17-31/h3-13H,14-17H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide?
N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 117079357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).