N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C21H26N4O3 — CID 46560073

IUPACN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H26N4O3/c1-3-16-6-4-5-7-18(16)23-20(26)15-24(2)21(27)17-8-9-19(22-14-17)25-10-12-28-13-11-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)
InChIKeyFDGUNXJFOPMTIB-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.19
Rot. Bonds6

About N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 46560073) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID46560073
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C21H26N4O3/c1-3-16-6-4-5-7-18(16)23-20(26)15-24(2)21(27)17-8-9-19(22-14-17)25-10-12-28-13-11-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26)
InChIKeyFDGUNXJFOPMTIB-UHFFFAOYSA-N
XLogP2.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 46560073) is N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide is CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is FDGUNXJFOPMTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-3-16-6-4-5-7-18(16)23-20(26)15-24(2)21(27)17-8-9-19(22-14-17)25-10-12-28-13-11-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 46560073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).