2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide

C22H30N4O3 — CID 151221473

IUPAC2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide
SMILESCC(C1=CC(C(=O)NCCC2CNCCO2)=CC(C)(C(N)=O)N1)c1ccccc1
InChIInChI=1S/C22H30N4O3/c1-15(16-6-4-3-5-7-16)19-12-17(13-22(2,26-19)21(23)28)20(27)25-9-8-18-14-24-10-11-29-18/h3-7,12-13,15,18,24,26H,8-11,14H2,1-2H3,(H2,23,28)(H,25,27)
InChIKeyNMJMOEPMTSRLJV-UHFFFAOYSA-N
MW398.51 g/mol
LogP0.94
Rot. Bonds7

About 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide

2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide (PubChem CID 151221473) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide
PubChem CID151221473
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide
SMILESCC(C1=CC(C(=O)NCCC2CNCCO2)=CC(C)(C(N)=O)N1)c1ccccc1
InChIInChI=1S/C22H30N4O3/c1-15(16-6-4-3-5-7-16)19-12-17(13-22(2,26-19)21(23)28)20(27)25-9-8-18-14-24-10-11-29-18/h3-7,12-13,15,18,24,26H,8-11,14H2,1-2H3,(H2,23,28)(H,25,27)
InChIKeyNMJMOEPMTSRLJV-UHFFFAOYSA-N
XLogP0.94
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
CID 131997225
5-methyl-3-N-[2-(4-methylmorpholin-2-yl)ethyl]-2-[(1S)-1-phenylethyl]-1H-pyrazole-3,5-dicarboxamide
CID 175950230
5-methyl-3-N-[2-(oxan-3-yl)ethyl]-2-[(1S)-1-phenylethyl]-1H-pyrazole-3,5-dicarboxamide
CID 175950239
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843
4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170511858
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 158532324
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 158532323
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
2-morpholin-2-yl-N-(1-phenylpropyl)acetamide
CID 66427474
N-(2-methylpropyl)-2-[(2-morpholin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119684646
2-methyl-4-N-(2-piperidin-3-ylethyl)-1H-pyridine-2,4-dicarboxamide
CID 158730782
(1R)-2-[(2S)-morpholin-2-yl]-1-phenylethanol
CID 91338656

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide?
The IUPAC name of 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide (CID 151221473) is 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide is CC(C1=CC(C(=O)NCCC2CNCCO2)=CC(C)(C(N)=O)N1)c1ccccc1.
What is the InChIKey of 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide?
The InChIKey is NMJMOEPMTSRLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-15(16-6-4-3-5-7-16)19-12-17(13-22(2,26-19)21(23)28)20(27)25-9-8-18-14-24-10-11-29-18/h3-7,12-13,15,18,24,26H,8-11,14H2,1-2H3,(H2,23,28)(H,25,27).
What are the key properties of 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide?
2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 0.94, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide is sourced from PubChem (CID 151221473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).