3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

C20H26N4O2 — CID 109104104

IUPAC3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-14(2)15-5-7-18(8-6-15)23-20(26)17-11-16(12-21-13-17)19(25)22-9-10-24(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyJJHXHMFDXKWHKK-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.75
Rot. Bonds7

About 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109104104) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109104104
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCC(C)c1ccc(NC(=O)c2cncc(C(=O)NCCN(C)C)c2)cc1
InChIInChI=1S/C20H26N4O2/c1-14(2)15-5-7-18(8-6-15)23-20(26)17-11-16(12-21-13-17)19(25)22-9-10-24(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyJJHXHMFDXKWHKK-UHFFFAOYSA-N
XLogP2.75
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(3-methylbutyl)-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107140
3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153
3-N-[(2-fluorophenyl)methyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105544
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-N-(4-propan-2-ylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106035
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide (CID 109104104) is 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is CC(C)c1ccc(NC(=O)c2cncc(C(=O)NCCN(C)C)c2)cc1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is JJHXHMFDXKWHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(2)15-5-7-18(8-6-15)23-20(26)17-11-16(12-21-13-17)19(25)22-9-10-24(3)4/h5-8,11-14H,9-10H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).