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

C23H24N4O2 — CID 95104932

IUPACN-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-20-9-7-19(8-10-20)26-23(28)18-11-12-25-22(15-18)27-14-13-24-21(16-27)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyDUNKQKGOZNFAAF-OAQYLSRUSA-N
MW388.47 g/mol
LogP3.49
Rot. Bonds5

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

N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95104932) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95104932
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1
InChIInChI=1S/C23H24N4O2/c1-29-20-9-7-19(8-10-20)26-23(28)18-11-12-25-22(15-18)27-14-13-24-21(16-27)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)/t21-/m1/s1
InChIKeyDUNKQKGOZNFAAF-OAQYLSRUSA-N
XLogP3.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
N-(2,3-dihydro-1H-inden-5-yl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104992
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104917
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-(4-ethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105307
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105039
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95104932) is N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(N3CCN[C@@H](c4ccccc4)C3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is DUNKQKGOZNFAAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-29-20-9-7-19(8-10-20)26-23(28)18-11-12-25-22(15-18)27-14-13-24-21(16-27)17-5-3-2-4-6-17/h2-12,15,21,24H,13-14,16H2,1H3,(H,26,28)/t21-/m1/s1.
What are the key properties of N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95104932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).