N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide

C32H35N5O3 — CID 174367568

IUPACN'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide
SMILESCCc1cc(N(NC(=O)N2CCN(c3cccc(OC)c3)CC2)c2ccccc2)c(Oc2ccccc2)nc1C
InChIInChI=1S/C32H35N5O3/c1-4-25-22-30(31(33-24(25)2)40-28-15-9-6-10-16-28)37(26-12-7-5-8-13-26)34-32(38)36-20-18-35(19-21-36)27-14-11-17-29(23-27)39-3/h5-17,22-23H,4,18-21H2,1-3H3,(H,34,38)
InChIKeyHNZBVVDHLJEYSV-UHFFFAOYSA-N
MW537.66 g/mol
LogP6.34
Rot. Bonds8

About N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide

N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide (PubChem CID 174367568) has the molecular formula C32H35N5O3 and a molecular weight of 537.66 g/mol. Its IUPAC name is N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide.

Molecular Properties

Compound NameN'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide
PubChem CID174367568
Molecular FormulaC32H35N5O3
Molecular Weight537.66 g/mol
Exact Mass537.27
IUPAC NameN'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide
SMILESCCc1cc(N(NC(=O)N2CCN(c3cccc(OC)c3)CC2)c2ccccc2)c(Oc2ccccc2)nc1C
InChIInChI=1S/C32H35N5O3/c1-4-25-22-30(31(33-24(25)2)40-28-15-9-6-10-16-28)37(26-12-7-5-8-13-26)34-32(38)36-20-18-35(19-21-36)27-14-11-17-29(23-27)39-3/h5-17,22-23H,4,18-21H2,1-3H3,(H,34,38)
InChIKeyHNZBVVDHLJEYSV-UHFFFAOYSA-N
XLogP6.34
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.66
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
N-(2-ethoxyphenyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113542
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carbothioamide
CID 54396849
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 42904601
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide?
The IUPAC name of N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide (CID 174367568) is N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide.
What is the SMILES notation for N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide?
The canonical SMILES for N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide is CCc1cc(N(NC(=O)N2CCN(c3cccc(OC)c3)CC2)c2ccccc2)c(Oc2ccccc2)nc1C.
What is the InChIKey of N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide?
The InChIKey is HNZBVVDHLJEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O3/c1-4-25-22-30(31(33-24(25)2)40-28-15-9-6-10-16-28)37(26-12-7-5-8-13-26)34-32(38)36-20-18-35(19-21-36)27-14-11-17-29(23-27)39-3/h5-17,22-23H,4,18-21H2,1-3H3,(H,34,38).
What are the key properties of N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide?
N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide has a molecular weight of 537.66 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)-4-(3-methoxyphenyl)-N'-phenylpiperazine-1-carbohydrazide is sourced from PubChem (CID 174367568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).