N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide

C21H28N4O2 — CID 10067621

IUPACN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)18-7-6-10-22-17-18/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,23,26)
InChIKeyAHHOKEBBUZLGDG-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.42
Rot. Bonds8

About N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide (PubChem CID 10067621) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide
PubChem CID10067621
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C21H28N4O2/c1-27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)18-7-6-10-22-17-18/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,23,26)
InChIKeyAHHOKEBBUZLGDG-UHFFFAOYSA-N
XLogP2.42
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide (CID 10067621) is N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide is COc1ccccc1N1CCN(CCCCNC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide?
The InChIKey is AHHOKEBBUZLGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-20-9-3-2-8-19(20)25-15-13-24(14-16-25)12-5-4-11-23-21(26)18-7-6-10-22-17-18/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,23,26).
What are the key properties of N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide?
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyridine-3-carboxamide is sourced from PubChem (CID 10067621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).