N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C20H26N4O3 — CID 109208280

IUPACN-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(N3CCN(C)CC3)ccn2)cc1
InChIInChI=1S/C20H26N4O3/c1-23-10-12-24(13-11-23)16-7-8-21-19(15-16)20(25)22-9-14-27-18-5-3-17(26-2)4-6-18/h3-8,15H,9-14H2,1-2H3,(H,22,25)
InChIKeyGSNVZSRSDKLFDV-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.65
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109208280) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109208280
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(N3CCN(C)CC3)ccn2)cc1
InChIInChI=1S/C20H26N4O3/c1-23-10-12-24(13-11-23)16-7-8-21-19(15-16)20(25)22-9-14-27-18-5-3-17(26-2)4-6-18/h3-8,15H,9-14H2,1-2H3,(H,22,25)
InChIKeyGSNVZSRSDKLFDV-UHFFFAOYSA-N
XLogP1.65
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109209181
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
N-(3-methoxypropyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204551
4-(4-methylpiperazin-1-yl)-N-prop-2-enylpyridine-2-carboxamide
CID 109202089
4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
CID 109089109
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321602
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethyl)-1,3-thiazole-4-carboxamide
CID 117089664
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide
CID 110839035
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109208280) is N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is COc1ccc(OCCNC(=O)c2cc(N3CCN(C)CC3)ccn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is GSNVZSRSDKLFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-10-12-24(13-11-23)16-7-8-21-19(15-16)20(25)22-9-14-27-18-5-3-17(26-2)4-6-18/h3-8,15H,9-14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109208280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).