N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

C25H28N4O2 — CID 139793638

IUPACN-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2OCc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C25H28N4O2/c30-25(22-9-6-12-26-19-22)27-13-14-28-15-17-29(18-16-28)23-10-4-5-11-24(23)31-20-21-7-2-1-3-8-21/h1-12,19H,13-18,20H2,(H,27,30)
InChIKeyOACKGPIPWFPEOJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.21
Rot. Bonds8

About N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide

N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 139793638) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID139793638
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ccccc2OCc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C25H28N4O2/c30-25(22-9-6-12-26-19-22)27-13-14-28-15-17-29(18-16-28)23-10-4-5-11-24(23)31-20-21-7-2-1-3-8-21/h1-12,19H,13-18,20H2,(H,27,30)
InChIKeyOACKGPIPWFPEOJ-UHFFFAOYSA-N
XLogP3.21
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-[2-(thiophen-2-ylmethoxy)phenyl]piperazin-1-yl]butyl]pyridine-3-carboxamide
CID 139793526
N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042300
N-(2-morpholin-4-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 47039155
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-(2-phenylmethoxyphenyl)acetamide
CID 67015267
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-3-carboxamide
CID 11725128
N-[2-[4-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 24735489
N-[2-[[ethylamino-[4-(2-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]pyridine-3-carboxamide
CID 111133417
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
N-[3-[3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42433151
3,5-dichloro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 10024401
1-methyl-4-(2-phenylmethoxyphenyl)piperazine
CID 58996693

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (CID 139793638) is N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is O=C(NCCN1CCN(c2ccccc2OCc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is OACKGPIPWFPEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-25(22-9-6-12-26-19-22)27-13-14-28-15-17-29(18-16-28)23-10-4-5-11-24(23)31-20-21-7-2-1-3-8-21/h1-12,19H,13-18,20H2,(H,27,30).
What are the key properties of N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 139793638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).