2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

C23H25N5O — CID 95104964

IUPAC2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H25N5O/c29-23(27-13-10-20-8-4-5-11-24-20)19-9-12-26-22(16-19)28-15-14-25-21(17-28)18-6-2-1-3-7-18/h1-9,11-12,16,21,25H,10,13-15,17H2,(H,27,29)/t21-/m1/s1
InChIKeyRQVHTDDYLOABOY-OAQYLSRUSA-N
MW387.49 g/mol
LogP2.60
Rot. Bonds6

About 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (PubChem CID 95104964) 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-4-carboxamide.

Molecular Properties

Compound Name2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
PubChem CID95104964
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
SMILESO=C(NCCc1ccccn1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H25N5O/c29-23(27-13-10-20-8-4-5-11-24-20)19-9-12-26-22(16-19)28-15-14-25-21(17-28)18-6-2-1-3-7-18/h1-9,11-12,16,21,25H,10,13-15,17H2,(H,27,29)/t21-/m1/s1
InChIKeyRQVHTDDYLOABOY-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-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 95104807
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104938
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105039
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 53180741

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide (CID 95104964) is 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide is O=C(NCCc1ccccn1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
The InChIKey is RQVHTDDYLOABOY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25N5O/c29-23(27-13-10-20-8-4-5-11-24-20)19-9-12-26-22(16-19)28-15-14-25-21(17-28)18-6-2-1-3-7-18/h1-9,11-12,16,21,25H,10,13-15,17H2,(H,27,29)/t21-/m1/s1.
What are the key properties of 2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide?
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-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-4-carboxamide is sourced from PubChem (CID 95104964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).