N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C23H23ClN4O — CID 95105024

IUPACN-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H23ClN4O/c24-20-9-5-4-8-19(20)15-27-23(29)18-10-11-26-22(14-18)28-13-12-25-21(16-28)17-6-2-1-3-7-17/h1-11,14,21,25H,12-13,15-16H2,(H,27,29)/t21-/m1/s1
InChIKeyANFSBJOZFKUWPJ-OAQYLSRUSA-N
MW406.92 g/mol
LogP3.82
Rot. Bonds5

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

N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95105024) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95105024
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H23ClN4O/c24-20-9-5-4-8-19(20)15-27-23(29)18-10-11-26-22(14-18)28-13-12-25-21(16-28)17-6-2-1-3-7-17/h1-11,14,21,25H,12-13,15-16H2,(H,27,29)/t21-/m1/s1
InChIKeyANFSBJOZFKUWPJ-OAQYLSRUSA-N
XLogP3.82
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
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-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104932

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95105024) is N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is O=C(NCc1ccccc1Cl)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is ANFSBJOZFKUWPJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-20-9-5-4-8-19(20)15-27-23(29)18-10-11-26-22(14-18)28-13-12-25-21(16-28)17-6-2-1-3-7-17/h1-11,14,21,25H,12-13,15-16H2,(H,27,29)/t21-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95105024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).