2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H23N5O2 — CID 91762727

About 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 91762727) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 91762727
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: CNc1cc(C2CC(NC(=O)c3cc4c(nc3OC)CCC4)C2)ncn1
• InChI: InChI=1S/C19H23N5O2/c1-20-17-9-16(21-10-22-17)12-6-13(7-12)23-18(25)14-8-11-4-3-5-15(11)24-19(14)26-2/h8-10,12-13H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
• InChIKey: IDOMHIJHGWOMMJ-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 89.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 91762727) is 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CNc1cc(C2CC(NC(=O)c3cc4c(nc3OC)CCC4)C2)ncn1.

What is the InChIKey of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is IDOMHIJHGWOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-20-17-9-16(21-10-22-17)12-6-13(7-12)23-18(25)14-8-11-4-3-5-15(11)24-19(14)26-2/h8-10,12-13H,3-7H2,1-2H3,(H,23,25)(H,20,21,22).

What are the key properties of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 91762727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).