6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

C29H33ClN4O2 — CID 68737824

IUPAC6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(N2CCN(C(=O)C(C)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C29H33ClN4O2/c1-21(8-9-23-6-4-3-5-7-23)32-28(35)25-12-15-27(31-20-25)33-16-18-34(19-17-33)29(36)22(2)24-10-13-26(30)14-11-24/h3-7,10-15,20-22H,8-9,16-19H2,1-2H3,(H,32,35)
InChIKeyOYJYDVRCXFPAPM-UHFFFAOYSA-N
MW505.06 g/mol
LogP4.94
Rot. Bonds8

About 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 68737824) has the molecular formula C29H33ClN4O2 and a molecular weight of 505.06 g/mol. Its IUPAC name is 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
PubChem CID68737824
Molecular FormulaC29H33ClN4O2
Molecular Weight505.06 g/mol
Exact Mass504.23
IUPAC Name6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)c1ccc(N2CCN(C(=O)C(C)c3ccc(Cl)cc3)CC2)nc1
InChIInChI=1S/C29H33ClN4O2/c1-21(8-9-23-6-4-3-5-7-23)32-28(35)25-12-15-27(31-20-25)33-16-18-34(19-17-33)29(36)22(2)24-10-13-26(30)14-11-24/h3-7,10-15,20-22H,8-9,16-19H2,1-2H3,(H,32,35)
InChIKeyOYJYDVRCXFPAPM-UHFFFAOYSA-N
XLogP4.94
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.06
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-(3-chlorophenyl)ethyl]-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 159898976
5,6-dichloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-carboxamide
CID 7987043
6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 68738298
6-amino-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 62072779
N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739288
6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 87555935
N-[(2S)-4-phenylbutan-2-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 41453775
N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737088
N-[(2S)-4-phenylbutan-2-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 9288428
4-chloro-N-[(2S)-1-oxo-1-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]propan-2-yl]benzamide
CID 31615982
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
[4-(1-aminoethyl)phenyl]-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 166238468

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (CID 68737824) is 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is CC(CCc1ccccc1)NC(=O)c1ccc(N2CCN(C(=O)C(C)c3ccc(Cl)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is OYJYDVRCXFPAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O2/c1-21(8-9-23-6-4-3-5-7-23)32-28(35)25-12-15-27(31-20-25)33-16-18-34(19-17-33)29(36)22(2)24-10-13-26(30)14-11-24/h3-7,10-15,20-22H,8-9,16-19H2,1-2H3,(H,32,35).
What are the key properties of 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 505.06 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 68737824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).