3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide

C20H26N4O2 — CID 109104102

IUPAC3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-5-15-8-6-7-14(2)18(15)23-20(26)17-11-16(12-21-13-17)19(25)22-9-10-24(3)4/h6-8,11-13H,5,9-10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBXSQRWCNHIIXPX-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.50
Rot. Bonds7

About 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109104102) 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-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109104102
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C20H26N4O2/c1-5-15-8-6-7-14(2)18(15)23-20(26)17-11-16(12-21-13-17)19(25)22-9-10-24(3)4/h6-8,11-13H,5,9-10H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyBXSQRWCNHIIXPX-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
5-N-(2-ethyl-6-methylphenyl)-3-N-(3-methoxypropyl)pyridine-3,5-dicarboxamide
CID 109103645
4-N-(2,6-diethylphenyl)-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045787
3-N-(2-ethyl-6-methylphenyl)-5-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 109101431
5-N-(2-ethyl-6-methylphenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104899
3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
5-(N-ethylanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243612
methyl 3-[[5-[2-(dimethylamino)ethylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104143
5-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 109243693
3-N-(2,6-diethylphenyl)-5-N,5-N-diethylpyridine-3,5-dicarboxamide
CID 109106761
N-(2-ethyl-6-methylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236356

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide (CID 109104102) is 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide is CCc1cccc(C)c1NC(=O)c1cncc(C(=O)NCCN(C)C)c1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is BXSQRWCNHIIXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-15-8-6-7-14(2)18(15)23-20(26)17-11-16(12-21-13-17)19(25)22-9-10-24(3)4/h6-8,11-13H,5,9-10H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.50, 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-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).