2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide

C22H28N4O3 — CID 131997421

IUPAC2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCC2CNCCO2)cc(Cc2cccc(C)c2)n1
InChIInChI=1S/C22H28N4O3/c1-15-4-3-5-16(10-15)11-18-12-17(13-20(26-18)22(28)23-2)21(27)25-7-6-19-14-24-8-9-29-19/h3-5,10,12-13,19,24H,6-9,11,14H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyYODMQHUGDITPPW-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.45
Rot. Bonds7

About 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide

2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide (PubChem CID 131997421) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
PubChem CID131997421
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCCC2CNCCO2)cc(Cc2cccc(C)c2)n1
InChIInChI=1S/C22H28N4O3/c1-15-4-3-5-16(10-15)11-18-12-17(13-20(26-18)22(28)23-2)21(27)25-7-6-19-14-24-8-9-29-19/h3-5,10,12-13,19,24H,6-9,11,14H2,1-2H3,(H,23,28)(H,25,27)
InChIKeyYODMQHUGDITPPW-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 53
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
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 138571886
6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131988964
N-[(3-methylphenyl)methyl]-2-morpholin-2-ylethanamine
CID 115239213
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
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
4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 153309197
4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170511858
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673
(3R)-3-ethyl-7-N-methyl-5-N-[2-[(2R)-morpholin-2-yl]ethyl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 175728861

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide (CID 131997421) is 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NCCC2CNCCO2)cc(Cc2cccc(C)c2)n1.
What is the InChIKey of 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is YODMQHUGDITPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-4-3-5-16(10-15)11-18-12-17(13-20(26-18)22(28)23-2)21(27)25-7-6-19-14-24-8-9-29-19/h3-5,10,12-13,19,24H,6-9,11,14H2,1-2H3,(H,23,28)(H,25,27).
What are the key properties of 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide?
2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131997421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).