N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

C25H25N5O3 — CID 164524541

IUPACN-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1
InChIInChI=1S/C25H25N5O3/c1-17(31)28-22-6-8-23(9-7-22)29-24(32)21-14-20(15-27-16-21)18-2-4-19(5-3-18)25(33)30-12-10-26-11-13-30/h2-9,14-16,26H,10-13H2,1H3,(H,28,31)(H,29,32)
InChIKeyYWGNVCOZCXFVOR-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.00
Rot. Bonds5

About N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide

N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 164524541) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID164524541
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC NameN-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1
InChIInChI=1S/C25H25N5O3/c1-17(31)28-22-6-8-23(9-7-22)29-24(32)21-14-20(15-27-16-21)18-2-4-19(5-3-18)25(33)30-12-10-26-11-13-30/h2-9,14-16,26H,10-13H2,1H3,(H,28,31)(H,29,32)
InChIKeyYWGNVCOZCXFVOR-UHFFFAOYSA-N
XLogP3.00
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524545
5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 164524535
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-(4-acetamidophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103264
5-[4-(piperazine-1-carbonyl)phenyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 156501650
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
N-[4-(piperazine-1-carbonyl)phenyl]propanamide
CID 53215907
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
methyl 4-[[5-(4-methylpiperazine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109104507
N,5-diphenylpyridine-3-carboxamide
CID 110683714
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 164524541) is N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is YWGNVCOZCXFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-17(31)28-22-6-8-23(9-7-22)29-24(32)21-14-20(15-27-16-21)18-2-4-19(5-3-18)25(33)30-12-10-26-11-13-30/h2-9,14-16,26H,10-13H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide?
N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 443.51 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 164524541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).