1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H24N4O3 — CID 55810089

IUPAC1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N1CCCC(C(=O)Nc2ccc(C)cn2)C1
InChIInChI=1S/C20H24N4O3/c1-3-27-19-16(7-4-10-21-19)20(26)24-11-5-6-15(13-24)18(25)23-17-9-8-14(2)12-22-17/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,22,23,25)
InChIKeyYIXZMKARZFQTEF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.67
Rot. Bonds5

About 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55810089) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55810089
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCCOc1ncccc1C(=O)N1CCCC(C(=O)Nc2ccc(C)cn2)C1
InChIInChI=1S/C20H24N4O3/c1-3-27-19-16(7-4-10-21-19)20(26)24-11-5-6-15(13-24)18(25)23-17-9-8-14(2)12-22-17/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,22,23,25)
InChIKeyYIXZMKARZFQTEF-UHFFFAOYSA-N
XLogP2.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55810089) is 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is CCOc1ncccc1C(=O)N1CCCC(C(=O)Nc2ccc(C)cn2)C1.
What is the InChIKey of 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is YIXZMKARZFQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-27-19-16(7-4-10-21-19)20(26)24-11-5-6-15(13-24)18(25)23-17-9-8-14(2)12-22-17/h4,7-10,12,15H,3,5-6,11,13H2,1-2H3,(H,22,23,25).
What are the key properties of 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55810089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).