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

C22H21N7O3 — CID 58548390

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

6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548390) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 58548390
• Molecular Formula: C22H21N7O3
• Molecular Weight: 431.46 g/mol
• Exact Mass: 431.17
• IUPAC Name: 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: O=C(Nc1cnccc1C(=O)N1CC(O)C1)c1nc(C2CC2)ccc1Nc1cncnc1
• InChI: InChI=1S/C22H21N7O3/c30-15-10-29(11-15)22(32)16-5-6-23-9-19(16)28-21(31)20-18(26-14-7-24-12-25-8-14)4-3-17(27-20)13-1-2-13/h3-9,12-13,15,26,30H,1-2,10-11H2,(H,28,31)
• InChIKey: LYYMSLCXCVVBDT-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 133.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.46
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548390) is 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

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

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

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

The InChIKey is LYYMSLCXCVVBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c30-15-10-29(11-15)22(32)16-5-6-23-9-19(16)28-21(31)20-18(26-14-7-24-12-25-8-14)4-3-17(27-20)13-1-2-13/h3-9,12-13,15,26,30H,1-2,10-11H2,(H,28,31).

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

6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[4-(3-hydroxyazetidine-1-carbonyl)-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).