2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide

C24H25N5O2 — CID 44760007

IUPAC2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cccc(Nc2ncccc2C(=O)NCCCn2c(=O)[nH]c3ccccc32)c1C
InChIInChI=1S/C24H25N5O2/c1-16-8-5-11-19(17(16)2)27-22-18(9-6-13-25-22)23(30)26-14-7-15-29-21-12-4-3-10-20(21)28-24(29)31/h3-6,8-13H,7,14-15H2,1-2H3,(H,25,27)(H,26,30)(H,28,31)
InChIKeyKDQVIILZZJUIRX-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.91
Rot. Bonds7

About 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide

2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 44760007) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID44760007
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCc1cccc(Nc2ncccc2C(=O)NCCCn2c(=O)[nH]c3ccccc32)c1C
InChIInChI=1S/C24H25N5O2/c1-16-8-5-11-19(17(16)2)27-22-18(9-6-13-25-22)23(30)26-14-7-15-29-21-12-4-3-10-20(21)28-24(29)31/h3-6,8-13H,7,14-15H2,1-2H3,(H,25,27)(H,26,30)(H,28,31)
InChIKeyKDQVIILZZJUIRX-UHFFFAOYSA-N
XLogP3.91
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 44760007) is 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide is Cc1cccc(Nc2ncccc2C(=O)NCCCn2c(=O)[nH]c3ccccc32)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is KDQVIILZZJUIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-8-5-11-19(17(16)2)27-22-18(9-6-13-25-22)23(30)26-14-7-15-29-21-12-4-3-10-20(21)28-24(29)31/h3-6,8-13H,7,14-15H2,1-2H3,(H,25,27)(H,26,30)(H,28,31).
What are the key properties of 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide?
2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 44760007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).