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

C19H24N4O2 — CID 11724818

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-18-7-3-2-6-17(18)23-13-11-22(12-14-23)10-9-21-19(24)16-5-4-8-20-15-16/h2-8,15H,9-14H2,1H3,(H,21,24)
InChIKeyRPFDZEAPDWUCAQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.64
Rot. Bonds6

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 11724818) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID11724818
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2cccnc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-18-7-3-2-6-17(18)23-13-11-22(12-14-23)10-9-21-19(24)16-5-4-8-20-15-16/h2-8,15H,9-14H2,1H3,(H,21,24)
InChIKeyRPFDZEAPDWUCAQ-UHFFFAOYSA-N
XLogP1.64
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide (CID 11724818) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2cccnc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is RPFDZEAPDWUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-7-3-2-6-17(18)23-13-11-22(12-14-23)10-9-21-19(24)16-5-4-8-20-15-16/h2-8,15H,9-14H2,1H3,(H,21,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 11724818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).