N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide

C23H24FN3O — CID 109170485

IUPACN-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C23H24FN3O/c1-17(2)27(16-18-8-4-3-5-9-18)23(28)19-12-13-25-22(14-19)26-15-20-10-6-7-11-21(20)24/h3-14,17H,15-16H2,1-2H3,(H,25,26)
InChIKeyXUFTVCHLOMWPOG-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.88
Rot. Bonds7

About N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide

N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 109170485) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID109170485
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC NameN-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCc2ccccc2F)c1
InChIInChI=1S/C23H24FN3O/c1-17(2)27(16-18-8-4-3-5-9-18)23(28)19-12-13-25-22(14-19)26-15-20-10-6-7-11-21(20)24/h3-14,17H,15-16H2,1-2H3,(H,25,26)
InChIKeyXUFTVCHLOMWPOG-UHFFFAOYSA-N
XLogP4.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109167828
N-[2-(dimethylamino)ethyl]-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109167657
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
2-[(2-fluorophenyl)methylamino]-N-pentylpyridine-4-carboxamide
CID 109170487
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 46139787
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109170542
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
N-benzyl-6-[(4-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348287
N-[2-(2-fluorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169978

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide (CID 109170485) is N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCc2ccccc2F)c1.
What is the InChIKey of N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is XUFTVCHLOMWPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-17(2)27(16-18-8-4-3-5-9-18)23(28)19-12-13-25-22(14-19)26-15-20-10-6-7-11-21(20)24/h3-14,17H,15-16H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide?
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 109170485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).