2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide

C20H26N4O3 — CID 109084095

IUPAC2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C(=O)NCCCN(C)C)c2)cc1
InChIInChI=1S/C20H26N4O3/c1-4-27-17-8-6-16(7-9-17)23-19(25)15-10-12-21-18(14-15)20(26)22-11-5-13-24(2)3/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZJJRBEZRWZYTCU-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.41
Rot. Bonds9

About 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide

2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109084095) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109084095
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(C(=O)NCCCN(C)C)c2)cc1
InChIInChI=1S/C20H26N4O3/c1-4-27-17-8-6-16(7-9-17)23-19(25)15-10-12-21-18(14-15)20(26)22-11-5-13-24(2)3/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyZJJRBEZRWZYTCU-UHFFFAOYSA-N
XLogP2.41
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109083962
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
2-N-butyl-4-N-(4-ethoxyphenyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 109090083
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
2-N-(4-ethoxyphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078141
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
4-N-cyclopentyl-2-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109080804
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109084078
2-N-[3-(dimethylamino)propyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109084055
4-N-(4-ethoxyphenyl)-2-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093012

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide (CID 109084095) is 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide is CCOc1ccc(NC(=O)c2ccnc(C(=O)NCCCN(C)C)c2)cc1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is ZJJRBEZRWZYTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-27-17-8-6-16(7-9-17)23-19(25)15-10-12-21-18(14-15)20(26)22-11-5-13-24(2)3/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).