N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide

C24H23N5O2 — CID 142608157

IUPACN-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(C#N)cc4)CC3)cc2)nc1
InChIInChI=1S/C24H23N5O2/c1-31-22-10-11-23(26-17-22)24(30)27-19-4-8-21(9-5-19)29-14-12-28(13-15-29)20-6-2-18(16-25)3-7-20/h2-11,17H,12-15H2,1H3,(H,27,30)
InChIKeyJFKRFHDTFSTFLR-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.54
Rot. Bonds5

About N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide

N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 142608157) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
PubChem CID142608157
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(C#N)cc4)CC3)cc2)nc1
InChIInChI=1S/C24H23N5O2/c1-31-22-10-11-23(26-17-22)24(30)27-19-4-8-21(9-5-19)29-14-12-28(13-15-29)20-6-2-18(16-25)3-7-20/h2-11,17H,12-15H2,1H3,(H,27,30)
InChIKeyJFKRFHDTFSTFLR-UHFFFAOYSA-N
XLogP3.54
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-N-[4-(4-pyridin-3-ylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 142608158
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
2-N-(4-cyanophenyl)-6-N-(4-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100968
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-4-[2-(2-fluoroethoxy)ethoxy]benzamide
CID 142608248
N-[4-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]phenyl]carbamate
CID 19032426
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
N-(3-cyanophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193469
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide (CID 142608157) is N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(C#N)cc4)CC3)cc2)nc1.
What is the InChIKey of N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is JFKRFHDTFSTFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-31-22-10-11-23(26-17-22)24(30)27-19-4-8-21(9-5-19)29-14-12-28(13-15-29)20-6-2-18(16-25)3-7-20/h2-11,17H,12-15H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide?
N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-cyanophenyl)piperazin-1-yl]phenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 142608157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).