3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide

C30H27FN4O2 — CID 141328339

IUPAC3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ncccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C30H27FN4O2/c31-25-12-8-22(9-13-25)21-34-17-19-35(20-18-34)30(37)27-7-4-16-32-28(27)29(36)33-26-14-10-24(11-15-26)23-5-2-1-3-6-23/h1-16H,17-21H2,(H,33,36)
InChIKeyRVCZLOWBZDRBET-UHFFFAOYSA-N
MW494.57 g/mol
LogP5.10
Rot. Bonds6

About 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide

3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide (PubChem CID 141328339) has the molecular formula C30H27FN4O2 and a molecular weight of 494.57 g/mol. Its IUPAC name is 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide
PubChem CID141328339
Molecular FormulaC30H27FN4O2
Molecular Weight494.57 g/mol
Exact Mass494.21
IUPAC Name3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)c1ncccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C30H27FN4O2/c31-25-12-8-22(9-13-25)21-34-17-19-35(20-18-34)30(37)27-7-4-16-32-28(27)29(36)33-26-14-10-24(11-15-26)23-5-2-1-3-6-23/h1-16H,17-21H2,(H,33,36)
InChIKeyRVCZLOWBZDRBET-UHFFFAOYSA-N
XLogP5.10
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyanophenyl)phenyl]-5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxamide
CID 56653758
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-fluorophenyl)-2-[4-(2-hydroxybenzoyl)piperazin-1-yl]acetamide
CID 27849870
N-(4-fluorophenyl)-2-[4-(7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55789547
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2-phenoxy-3-pyridinyl)methanone
CID 23903349
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164
3-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-N-phenylnaphthalene-2-carboxamide
CID 22264362
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
(4-benzylpiperazin-1-yl)-[3-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methanone
CID 16925732
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
(4-benzylpiperazin-1-yl)-(2-chloro-3-fluoro-4-pyridinyl)methanone
CID 110853109
N-(4-fluorophenyl)-2-[4-(2-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 27849921

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide (CID 141328339) is 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)c1ncccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide?
The InChIKey is RVCZLOWBZDRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O2/c31-25-12-8-22(9-13-25)21-34-17-19-35(20-18-34)30(37)27-7-4-16-32-28(27)29(36)33-26-14-10-24(11-15-26)23-5-2-1-3-6-23/h1-16H,17-21H2,(H,33,36).
What are the key properties of 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide?
3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-phenylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 141328339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).