2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide

C22H23N5O — CID 95104929

IUPAC2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C22H23N5O/c28-22(26-15-17-6-9-23-10-7-17)19-8-11-25-21(14-19)27-13-12-24-20(16-27)18-4-2-1-3-5-18/h1-11,14,20,24H,12-13,15-16H2,(H,26,28)/t20-/m0/s1
InChIKeyCUBRHASYNVTUEG-FQEVSTJZSA-N
MW373.46 g/mol
LogP2.56
Rot. Bonds5

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

2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 95104929) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
PubChem CID95104929
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccncc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1
InChIInChI=1S/C22H23N5O/c28-22(26-15-17-6-9-23-10-7-17)19-8-11-25-21(14-19)27-13-12-24-20(16-27)18-4-2-1-3-5-18/h1-11,14,20,24H,12-13,15-16H2,(H,26,28)/t20-/m0/s1
InChIKeyCUBRHASYNVTUEG-FQEVSTJZSA-N
XLogP2.56
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 95104964
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
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
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
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
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide (CID 95104929) is 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ccncc1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1.
What is the InChIKey of 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is CUBRHASYNVTUEG-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N5O/c28-22(26-15-17-6-9-23-10-7-17)19-8-11-25-21(14-19)27-13-12-24-20(16-27)18-4-2-1-3-5-18/h1-11,14,20,24H,12-13,15-16H2,(H,26,28)/t20-/m0/s1.
What are the key properties of 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide?
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 95104929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).