5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

C25H34N4O2 — CID 86891548

IUPAC5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NCc1ccccc1CN1CC(C)CC(C)C1
InChIInChI=1S/C25H34N4O2/c1-17-12-18(2)15-29(14-17)16-21-9-7-6-8-20(21)13-26-24(30)22-10-11-23(27-19(22)3)25(31)28(4)5/h6-11,17-18H,12-16H2,1-5H3,(H,26,30)
InChIKeyNGBJHNHRZFVKTQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.50
Rot. Bonds6

About 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide

5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (PubChem CID 86891548) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
PubChem CID86891548
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
SMILESCc1nc(C(=O)N(C)C)ccc1C(=O)NCc1ccccc1CN1CC(C)CC(C)C1
InChIInChI=1S/C25H34N4O2/c1-17-12-18(2)15-29(14-17)16-21-9-7-6-8-20(21)13-26-24(30)22-10-11-23(27-19(22)3)25(31)28(4)5/h6-11,17-18H,12-16H2,1-5H3,(H,26,30)
InChIKeyNGBJHNHRZFVKTQ-UHFFFAOYSA-N
XLogP3.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide with MolForge

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Related Compounds

3-amino-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60517608
N,N-dimethyl-2-[(3-methylazetidin-1-yl)methyl]benzamide
CID 177348316
5-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891532
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 47043225
2-N,2-N,6-trimethyl-5-N-[[2-(3-methylphenoxy)phenyl]methyl]pyridine-2,5-dicarboxamide
CID 86896413
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47043186
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 60517749
5-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide
CID 86891594
2,4-dimethyl-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55714039
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535

Frequently Asked Questions

What is the IUPAC name of 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide (CID 86891548) is 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is Cc1nc(C(=O)N(C)C)ccc1C(=O)NCc1ccccc1CN1CC(C)CC(C)C1.
What is the InChIKey of 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
The InChIKey is NGBJHNHRZFVKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-12-18(2)15-29(14-17)16-21-9-7-6-8-20(21)13-26-24(30)22-10-11-23(27-19(22)3)25(31)28(4)5/h6-11,17-18H,12-16H2,1-5H3,(H,26,30).
What are the key properties of 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide?
5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-N,2-N,6-trimethylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 86891548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).