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

C25H28N4O2 — CID 53180926

IUPACN-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccnc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C25H28N4O2/c1-2-31-23-11-7-6-10-21(23)17-28-25(30)20-12-13-27-24(16-20)29-15-14-26-22(18-29)19-8-4-3-5-9-19/h3-13,16,22,26H,2,14-15,17-18H2,1H3,(H,28,30)
InChIKeyBKNDKVDDVJZZDY-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.56
Rot. Bonds7

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

N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 53180926) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID53180926
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1ccnc(N2CCNC(c3ccccc3)C2)c1
InChIInChI=1S/C25H28N4O2/c1-2-31-23-11-7-6-10-21(23)17-28-25(30)20-12-13-27-24(16-20)29-15-14-26-22(18-29)19-8-4-3-5-9-19/h3-13,16,22,26H,2,14-15,17-18H2,1H3,(H,28,30)
InChIKeyBKNDKVDDVJZZDY-UHFFFAOYSA-N
XLogP3.56
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide (CID 53180926) is N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide is CCOc1ccccc1CNC(=O)c1ccnc(N2CCNC(c3ccccc3)C2)c1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is BKNDKVDDVJZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-31-23-11-7-6-10-21(23)17-28-25(30)20-12-13-27-24(16-20)29-15-14-26-22(18-29)19-8-4-3-5-9-19/h3-13,16,22,26H,2,14-15,17-18H2,1H3,(H,28,30).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 53180926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).