N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

C21H26N4O3 — CID 109104421

IUPACN-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-24-9-11-25(12-10-24)21(27)18-13-17(14-22-15-18)20(26)23-8-7-16-5-3-4-6-19(16)28-2/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)
InChIKeyKLXLOQWBKNIUDR-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.45
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104421) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104421
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C21H26N4O3/c1-24-9-11-25(12-10-24)21(27)18-13-17(14-22-15-18)20(26)23-8-7-16-5-3-4-6-19(16)28-2/h3-6,13-15H,7-12H2,1-2H3,(H,23,26)
InChIKeyKLXLOQWBKNIUDR-UHFFFAOYSA-N
XLogP1.45
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109104558
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109046351
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
5-[(1,1-dioxothiolan-3-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236584
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104421) is N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is COc1ccccc1CCNC(=O)c1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is KLXLOQWBKNIUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-24-9-11-25(12-10-24)21(27)18-13-17(14-22-15-18)20(26)23-8-7-16-5-3-4-6-19(16)28-2/h3-6,13-15H,7-12H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).