2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide

C25H34N4O5 — CID 3864511

IUPAC2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccc(OC)nc2OC)CC1
InChIInChI=1S/C25H34N4O5/c1-5-15-34-16-12-26-23(30)19-7-6-17(2)27-22(19)18-10-13-29(14-11-18)25(31)20-8-9-21(32-3)28-24(20)33-4/h6-9,18H,5,10-16H2,1-4H3,(H,26,30)
InChIKeyQKURDDDZKDFDSM-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.98
Rot. Bonds10

About 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide

2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide (PubChem CID 3864511) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
PubChem CID3864511
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide
SMILESCCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccc(OC)nc2OC)CC1
InChIInChI=1S/C25H34N4O5/c1-5-15-34-16-12-26-23(30)19-7-6-17(2)27-22(19)18-10-13-29(14-11-18)25(31)20-8-9-21(32-3)28-24(20)33-4/h6-9,18H,5,10-16H2,1-4H3,(H,26,30)
InChIKeyQKURDDDZKDFDSM-UHFFFAOYSA-N
XLogP2.98
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide (CID 3864511) is 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide is CCCOCCNC(=O)c1ccc(C)nc1C1CCN(C(=O)c2ccc(OC)nc2OC)CC1.
What is the InChIKey of 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
The InChIKey is QKURDDDZKDFDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-5-15-34-16-12-26-23(30)19-7-6-17(2)27-22(19)18-10-13-29(14-11-18)25(31)20-8-9-21(32-3)28-24(20)33-4/h6-9,18H,5,10-16H2,1-4H3,(H,26,30).
What are the key properties of 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide?
2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 2.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-4-yl]-6-methyl-N-(2-propoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3864511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).