2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

C19H22N4O3 — CID 60598831

IUPAC2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O3/c1-26-19-16(8-5-9-20-19)18(25)21-14-17(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyLQZKARUUMFUMJX-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.17
Rot. Bonds5

About 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide

2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (PubChem CID 60598831) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
PubChem CID60598831
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H22N4O3/c1-26-19-16(8-5-9-20-19)18(25)21-14-17(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,21,25)
InChIKeyLQZKARUUMFUMJX-UHFFFAOYSA-N
XLogP1.17
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 62874653
3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42101690
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
1-(4-phenylpiperazin-1-yl)-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanone
CID 133469022
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-methoxypyridine-3-carboxylate
CID 38702786
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
2-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 39541853
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide (CID 60598831) is 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is COc1ncccc1C(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is LQZKARUUMFUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-26-19-16(8-5-9-20-19)18(25)21-14-17(24)23-12-10-22(11-13-23)15-6-3-2-4-7-15/h2-9H,10-14H2,1H3,(H,21,25).
What are the key properties of 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide?
2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 60598831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).