N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide

C23H20FN5O — CID 66907802

About N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 66907802) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 66907802
• Molecular Formula: C23H20FN5O
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.17
• IUPAC Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC2)nc1)c1cc2ccncc2n1Cc1ccccc1F
• InChI: InChI=1S/C23H20FN5O/c24-19-5-2-1-4-17(19)15-29-20(12-16-8-9-25-14-21(16)29)23(30)27-18-6-7-22(26-13-18)28-10-3-11-28/h1-2,4-9,12-14H,3,10-11,15H2,(H,27,30)
• InChIKey: VYQVVDZFXKOWLN-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide (CID 66907802) is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide is O=C(Nc1ccc(N2CCC2)nc1)c1cc2ccncc2n1Cc1ccccc1F.

What is the InChIKey of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is VYQVVDZFXKOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c24-19-5-2-1-4-17(19)15-29-20(12-16-8-9-25-14-21(16)29)23(30)27-18-6-7-22(26-13-18)28-10-3-11-28/h1-2,4-9,12-14H,3,10-11,15H2,(H,27,30).

What are the key properties of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide?

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(2-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 66907802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).