N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide

C₂₀H₂₇N₃O — CID 109175898

About N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide

N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide (PubChem CID 109175898) has the molecular formula C₂₀H₂₇N₃O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
• PubChem CID: 109175898
• Molecular Formula: C₂₀H₂₇N₃O
• Molecular Weight: 325.46 g/mol
• Exact Mass: 325.22
• IUPAC Name: N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
• SMILES: CCCN(CCC)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1
• InChI: InChI=1S/C20H27N3O/c1-5-11-23(12-6-2)19-14-17(9-10-21-19)20(24)22-18-8-7-15(3)16(4)13-18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24)
• InChIKey: SPPZRRUDPSKAQH-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.46
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?

The IUPAC name of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide (CID 109175898) is N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1.

What is the InChIKey of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?

The InChIKey is SPPZRRUDPSKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-11-23(12-6-2)19-14-17(9-10-21-19)20(24)22-18-8-7-15(3)16(4)13-18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24).

What are the key properties of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?

N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109175898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 109175898 — identifiers, structure, computed properties (public domain)

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