1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide

C21H28N4O3 — CID 119069884

IUPAC1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC(c2ccccn2)N2CCOCC2)c(=O)n1C
InChIInChI=1S/C21H28N4O3/c1-15(2)18-8-7-16(21(27)24(18)3)20(26)23-14-19(17-6-4-5-9-22-17)25-10-12-28-13-11-25/h4-9,15,19H,10-14H2,1-3H3,(H,23,26)
InChIKeyVWXCVCWGRRSXCY-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.71
Rot. Bonds6

About 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide

1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide (PubChem CID 119069884) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
PubChem CID119069884
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCC(c2ccccn2)N2CCOCC2)c(=O)n1C
InChIInChI=1S/C21H28N4O3/c1-15(2)18-8-7-16(21(27)24(18)3)20(26)23-14-19(17-6-4-5-9-22-17)25-10-12-28-13-11-25/h4-9,15,19H,10-14H2,1-3H3,(H,23,26)
InChIKeyVWXCVCWGRRSXCY-UHFFFAOYSA-N
XLogP1.71
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70776358
5-hydroxy-N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]pyridine-2-carboxamide
CID 99941083
3-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504455
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-1-benzofuran-2-carboxamide
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N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-[(2S)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 99960169
N-[(2R)-2-morpholin-4-yl-2-pyridin-2-ylethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97155288
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72938175
4-hydroxy-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 77094687
2-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)pyridine-3-carboxamide
CID 91197833
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
4-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172670722

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide (CID 119069884) is 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCC(c2ccccn2)N2CCOCC2)c(=O)n1C.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
The InChIKey is VWXCVCWGRRSXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)18-8-7-16(21(27)24(18)3)20(26)23-14-19(17-6-4-5-9-22-17)25-10-12-28-13-11-25/h4-9,15,19H,10-14H2,1-3H3,(H,23,26).
What are the key properties of 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide?
1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 119069884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).