N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

C23H19F2N3O2 — CID 118935737

About N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (PubChem CID 118935737) has the molecular formula C23H19F2N3O2 and a molecular weight of 407.42 g/mol. Its IUPAC name is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
• PubChem CID: 118935737
• Molecular Formula: C23H19F2N3O2
• Molecular Weight: 407.42 g/mol
• Exact Mass: 407.14
• IUPAC Name: N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide
• SMILES: NC(=O)c1ccccc1CN(C(=O)c1ccncc1)[C@@H]1CCc2c(F)cc(F)cc21
• InChI: InChI=1S/C23H19F2N3O2/c24-16-11-19-18(20(25)12-16)5-6-21(19)28(23(30)14-7-9-27-10-8-14)13-15-3-1-2-4-17(15)22(26)29/h1-4,7-12,21H,5-6,13H2,(H2,26,29)/t21-/m1/s1
• InChIKey: PSNPWEWIBJBMFQ-OAQYLSRUSA-N
• XLogP: 3.79
• TPSA: 76.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.42
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

The IUPAC name of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide (CID 118935737) is N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

The canonical SMILES for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is NC(=O)c1ccccc1CN(C(=O)c1ccncc1)[C@@H]1CCc2c(F)cc(F)cc21.

What is the InChIKey of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

The InChIKey is PSNPWEWIBJBMFQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H19F2N3O2/c24-16-11-19-18(20(25)12-16)5-6-21(19)28(23(30)14-7-9-27-10-8-14)13-15-3-1-2-4-17(15)22(26)29/h1-4,7-12,21H,5-6,13H2,(H2,26,29)/t21-/m1/s1.

What are the key properties of N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide?

N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-carbamoylphenyl)methyl]-N-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118935737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).