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

C23H20ClN5O — CID 66908073

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

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66908073) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 66908073
• Molecular Formula: C23H20ClN5O
• Molecular Weight: 417.90 g/mol
• Exact Mass: 417.14
• IUPAC Name: N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(N2CCC2)nc1)c1cc2cccnc2n1Cc1cccc(Cl)c1
• InChI: InChI=1S/C23H20ClN5O/c24-18-6-1-4-16(12-18)15-29-20(13-17-5-2-9-25-22(17)29)23(30)27-19-7-8-21(26-14-19)28-10-3-11-28/h1-2,4-9,12-14H,3,10-11,15H2,(H,27,30)
• InChIKey: WOINOPWXDTVKSF-UHFFFAOYSA-N
• XLogP: 4.60
• 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	417.90
LogP ≤ 5	4.60
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-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66908073) is N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide.

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

The canonical SMILES for N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(N2CCC2)nc1)c1cc2cccnc2n1Cc1cccc(Cl)c1.

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

The InChIKey is WOINOPWXDTVKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-18-6-1-4-16(12-18)15-29-20(13-17-5-2-9-25-22(17)29)23(30)27-19-7-8-21(26-14-19)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-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide?

N-[6-(azetidin-1-yl)-3-pyridinyl]-1-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.60, 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-[(3-chlorophenyl)methyl]pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66908073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).