2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide

C22H28N4O3 — CID 131997225

IUPAC2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCC[C@H]2CNCCO2)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C22H28N4O3/c1-15(16-6-4-3-5-7-16)19-12-17(13-20(26-19)22(28)23-2)21(27)25-9-8-18-14-24-10-11-29-18/h3-7,12-13,15,18,24H,8-11,14H2,1-2H3,(H,23,28)(H,25,27)/t15?,18-/m0/s1
InChIKeyZGVKMFAPQSYXFI-PKHIMPSTSA-N
MW396.49 g/mol
LogP1.70
Rot. Bonds7

About 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide

2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 131997225) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID131997225
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCC[C@H]2CNCCO2)cc(C(C)c2ccccc2)n1
InChIInChI=1S/C22H28N4O3/c1-15(16-6-4-3-5-7-16)19-12-17(13-20(26-19)22(28)23-2)21(27)25-9-8-18-14-24-10-11-29-18/h3-7,12-13,15,18,24H,8-11,14H2,1-2H3,(H,23,28)(H,25,27)/t15?,18-/m0/s1
InChIKeyZGVKMFAPQSYXFI-PKHIMPSTSA-N
XLogP1.70
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide with MolForge

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Related Compounds

N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 158532323
N-methyl-4-[4-[(2S)-morpholin-2-yl]butanoyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 158532324
4-N-[3-(1,3-dioxan-2-yl)propyl]-2-N-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide;isoindole-1,3-dione
CID 145379851
2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
CID 131997421
2-methyl-4-N-(2-morpholin-2-ylethyl)-6-(1-phenylethyl)-1H-pyridine-2,4-dicarboxamide
CID 151221473
(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 175728861
6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131988964
N-methyl-4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 149474637
4-[5-[5-(1,3-dioxoisoindol-2-yl)-1,3-dioxan-2-yl]pentanoyl]-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2-carboxamide
CID 160626362
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 138571886
6-chloro-4-N-[3-(1,3-dioxan-2-yl)propyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131997279
5-chloro-2-fluoro-N-(2-morpholin-2-ylethyl)benzamide
CID 117044843

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide (CID 131997225) is 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NCC[C@H]2CNCCO2)cc(C(C)c2ccccc2)n1.
What is the InChIKey of 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is ZGVKMFAPQSYXFI-PKHIMPSTSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15(16-6-4-3-5-7-16)19-12-17(13-20(26-19)22(28)23-2)21(27)25-9-8-18-14-24-10-11-29-18/h3-7,12-13,15,18,24H,8-11,14H2,1-2H3,(H,23,28)(H,25,27)/t15?,18-/m0/s1.
What are the key properties of 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[2-[(2S)-morpholin-2-yl]ethyl]-6-(1-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131997225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).