N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide

C20H23N3O4 — CID 109081308

IUPACN-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H23N3O4/c1-26-15-6-7-18(27-2)16(13-15)22-19(24)14-8-9-21-17(12-14)20(25)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyJOLHXFFFHTZYEO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.98
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109081308) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109081308
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccnc(C(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C20H23N3O4/c1-26-15-6-7-18(27-2)16(13-15)22-19(24)14-8-9-21-17(12-14)20(25)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24)
InChIKeyJOLHXFFFHTZYEO-UHFFFAOYSA-N
XLogP2.98
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide (CID 109081308) is N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide is COc1ccc(OC)c(NC(=O)c2ccnc(C(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is JOLHXFFFHTZYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-26-15-6-7-18(27-2)16(13-15)22-19(24)14-8-9-21-17(12-14)20(25)23-10-4-3-5-11-23/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109081308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).