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

C21H28N4O3 — CID 109083962

IUPAC4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(C(=O)NCCCN(C)C)ccn2)cc1
InChIInChI=1S/C21H28N4O3/c1-15(2)28-18-8-6-17(7-9-18)24-21(27)19-14-16(10-12-22-19)20(26)23-11-5-13-25(3)4/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyDDDKOEVNASNJAJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.80
Rot. Bonds9

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

4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109083962) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
PubChem CID109083962
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cc(C(=O)NCCCN(C)C)ccn2)cc1
InChIInChI=1S/C21H28N4O3/c1-15(2)28-18-8-6-17(7-9-18)24-21(27)19-14-16(10-12-22-19)20(26)23-11-5-13-25(3)4/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyDDDKOEVNASNJAJ-UHFFFAOYSA-N
XLogP2.80
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.80
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

2-N-[3-(dimethylamino)propyl]-4-N-(4-ethoxyphenyl)pyridine-2,4-dicarboxamide
CID 109084095
1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455
2-N-(2-methoxyethyl)-4-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109082428
4-N-[3-(dimethylamino)propyl]-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078222
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
4-N-cyclopentyl-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide
CID 109080807
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
4-N-[2-(dimethylamino)ethyl]-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109083508
2-N-(3-chloro-4-methoxyphenyl)-4-N-[2-(dimethylamino)ethyl]pyridine-2,4-dicarboxamide
CID 109083492

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide (CID 109083962) is 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide is CC(C)Oc1ccc(NC(=O)c2cc(C(=O)NCCCN(C)C)ccn2)cc1.
What is the InChIKey of 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is DDDKOEVNASNJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)28-18-8-6-17(7-9-18)24-21(27)19-14-16(10-12-22-19)20(26)23-11-5-13-25(3)4/h6-10,12,14-15H,5,11,13H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide?
4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)propyl]-2-N-(4-propan-2-yloxyphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).