6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C22H19F2N7O2 — CID 70116466

About 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 70116466) has the molecular formula C22H19F2N7O2 and a molecular weight of 451.44 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 70116466
• Molecular Formula: C22H19F2N7O2
• Molecular Weight: 451.44 g/mol
• Exact Mass: 451.16
• IUPAC Name: 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: O=C(Nc1cnccc1C(=O)N1CC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1
• InChI: InChI=1S/C22H19F2N7O2/c23-22(24)10-31(11-22)21(33)15-5-6-25-9-18(15)30-20(32)19-17(28-14-7-26-12-27-8-14)4-3-16(29-19)13-1-2-13/h3-9,12-13,28H,1-2,10-11H2,(H,30,32)
• InChIKey: MDJPEVUIYLZTQJ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 113.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.44
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 70116466) is 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cnccc1C(=O)N1CC(F)(F)C1)c1nc(C2CC2)ccc1Nc1cncnc1.

What is the InChIKey of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The InChIKey is MDJPEVUIYLZTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N7O2/c23-22(24)10-31(11-22)21(33)15-5-6-25-9-18(15)30-20(32)19-17(28-14-7-26-12-27-8-14)4-3-16(29-19)13-1-2-13/h3-9,12-13,28H,1-2,10-11H2,(H,30,32).

What are the key properties of 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 451.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[4-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 70116466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).