2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C23H25N5O — CID 95104807

IUPAC2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H25N5O/c29-23(27-14-11-19-9-4-5-12-24-19)20-10-6-13-26-22(20)28-16-15-25-21(17-28)18-7-2-1-3-8-18/h1-10,12-13,21,25H,11,14-17H2,(H,27,29)/t21-/m1/s1
InChIKeyDAAFYPIWNOGDIT-OAQYLSRUSA-N
MW387.49 g/mol
LogP2.60
Rot. Bonds6

About 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 95104807) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID95104807
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1
InChIInChI=1S/C23H25N5O/c29-23(27-14-11-19-9-4-5-12-24-19)20-10-6-13-26-22(20)28-16-15-25-21(17-28)18-7-2-1-3-8-18/h1-10,12-13,21,25H,11,14-17H2,(H,27,29)/t21-/m1/s1
InChIKeyDAAFYPIWNOGDIT-OAQYLSRUSA-N
XLogP2.60
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104876
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
2-(2-pyridin-2-ylethylcarbamoyl)benzoic acid
CID 43396615
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104861
(6S)-4-oxo-6-phenyl-N-(2-pyridin-2-ylethyl)-6,7-dihydro-5H-triazolo[1,5-a]pyrazine-3-carboxamide
CID 154580087
[4-(3-methylphenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104857

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 95104807) is 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is O=C(NCCc1ccccn1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is DAAFYPIWNOGDIT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(27-14-11-19-9-4-5-12-24-19)20-10-6-13-26-22(20)28-16-15-25-21(17-28)18-7-2-1-3-8-18/h1-10,12-13,21,25H,11,14-17H2,(H,27,29)/t21-/m1/s1.
What are the key properties of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 95104807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).