5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

C26H28N4O2 — CID 164524535

IUPAC5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)c1
InChIInChI=1S/C26H28N4O2/c1-18(2)21-4-3-5-24(15-21)29-25(31)23-14-22(16-28-17-23)19-6-8-20(9-7-19)26(32)30-12-10-27-11-13-30/h3-9,14-18,27H,10-13H2,1-2H3,(H,29,31)
InChIKeyRTMPCTBWCWBFNW-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.17
Rot. Bonds5

About 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide

5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 164524535) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID164524535
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCC(C)c1cccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)c1
InChIInChI=1S/C26H28N4O2/c1-18(2)21-4-3-5-24(15-21)29-25(31)23-14-22(16-28-17-23)19-6-8-20(9-7-19)26(32)30-12-10-27-11-13-30/h3-9,14-18,27H,10-13H2,1-2H3,(H,29,31)
InChIKeyRTMPCTBWCWBFNW-UHFFFAOYSA-N
XLogP4.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524541
N-(4-ethylphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524545
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
5-[4-[4-[3-(dimethylamino)benzoyl]piperazine-1-carbonyl]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 122394905
N-(3-methylphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102907
N,5-diphenylpyridine-3-carboxamide
CID 110683714
(4-phenylphenyl)-piperazin-1-ylmethanone
CID 5345551
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732
N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104452
1-(4-chlorobenzoyl)-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 9293494
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
2,2-diphenyl-N-[4-(piperazine-1-carbonyl)phenyl]acetamide
CID 70153616

Frequently Asked Questions

What is the IUPAC name of 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide (CID 164524535) is 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide is CC(C)c1cccc(NC(=O)c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)c1.
What is the InChIKey of 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is RTMPCTBWCWBFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18(2)21-4-3-5-24(15-21)29-25(31)23-14-22(16-28-17-23)19-6-8-20(9-7-19)26(32)30-12-10-27-11-13-30/h3-9,14-18,27H,10-13H2,1-2H3,(H,29,31).
What are the key properties of 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(piperazine-1-carbonyl)phenyl]-N-(3-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 164524535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).