N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide

C21H26N4O3 — CID 3213405

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-28-14-11-22-20(26)16-25(18-7-3-2-4-8-18)21(27)17-9-10-19(23-15-17)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,26)
InChIKeyYZMDQMRQYXQKJN-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.09
Rot. Bonds8

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 3213405) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID3213405
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCOCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-28-14-11-22-20(26)16-25(18-7-3-2-4-8-18)21(27)17-9-10-19(23-15-17)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,26)
InChIKeyYZMDQMRQYXQKJN-UHFFFAOYSA-N
XLogP2.09
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 3213405) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide is COCCNC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccccc1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YZMDQMRQYXQKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-14-11-22-20(26)16-25(18-7-3-2-4-8-18)21(27)17-9-10-19(23-15-17)24-12-5-6-13-24/h2-4,7-10,15H,5-6,11-14,16H2,1H3,(H,22,26).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-phenyl-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3213405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).