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

C19H24N4O2 — CID 10640907

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyIQYRBWJVVBVMOS-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.64
Rot. Bonds6

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

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide (PubChem CID 10640907) 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-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
PubChem CID10640907
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1
InChIInChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24)
InChIKeyIQYRBWJVVBVMOS-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-4-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide (CID 10640907) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is IQYRBWJVVBVMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-18-5-3-2-4-17(18)23-14-12-22(13-15-23)11-10-21-19(24)16-6-8-20-9-7-16/h2-9H,10-15H2,1H3,(H,21,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 10640907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).