N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

C22H22N4O — CID 95104876

IUPACN-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cccnc1N1CCN[C@H](c2ccccc2)C1
InChIInChI=1S/C22H22N4O/c27-22(25-18-10-5-2-6-11-18)19-12-7-13-24-21(19)26-15-14-23-20(16-26)17-8-3-1-4-9-17/h1-13,20,23H,14-16H2,(H,25,27)/t20-/m0/s1
InChIKeyUEAPPMBABYOWQJ-FQEVSTJZSA-N
MW358.45 g/mol
LogP3.48
Rot. Bonds4

About N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 95104876) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID95104876
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cccnc1N1CCN[C@H](c2ccccc2)C1
InChIInChI=1S/C22H22N4O/c27-22(25-18-10-5-2-6-11-18)19-12-7-13-24-21(19)26-15-14-23-20(16-26)17-8-3-1-4-9-17/h1-13,20,23H,14-16H2,(H,25,27)/t20-/m0/s1
InChIKeyUEAPPMBABYOWQJ-FQEVSTJZSA-N
XLogP3.48
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 95104807
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
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
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104861
[4-(3-methylphenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104857
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105307
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 N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (CID 95104876) is N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is O=C(Nc1ccccc1)c1cccnc1N1CCN[C@H](c2ccccc2)C1.
What is the InChIKey of N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is UEAPPMBABYOWQJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O/c27-22(25-18-10-5-2-6-11-18)19-12-7-13-24-21(19)26-15-14-23-20(16-26)17-8-3-1-4-9-17/h1-13,20,23H,14-16H2,(H,25,27)/t20-/m0/s1.
What are the key properties of N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95104876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).