4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide

C25H30N6O2 — CID 175953627

About 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide

4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide (PubChem CID 175953627) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide
• PubChem CID: 175953627
• Molecular Formula: C25H30N6O2
• Molecular Weight: 446.56 g/mol
• Exact Mass: 446.24
• IUPAC Name: 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide
• SMILES: CC1CC(c2cncc(NC(=O)c3cc(CO)c4c(n3)C(C)(C)CC4)c2)(c2nncn2C)C1
• InChI: InChI=1S/C25H30N6O2/c1-15-9-25(10-15,23-30-27-14-31(23)4)17-8-18(12-26-11-17)28-22(33)20-7-16(13-32)19-5-6-24(2,3)21(19)29-20/h7-8,11-12,14-15,32H,5-6,9-10,13H2,1-4H3,(H,28,33)
• InChIKey: PJNTVOIAFZAJBS-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 105.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.56
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?

The IUPAC name of 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide (CID 175953627) is 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide.

What is the SMILES notation for 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?

The canonical SMILES for 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide is CC1CC(c2cncc(NC(=O)c3cc(CO)c4c(n3)C(C)(C)CC4)c2)(c2nncn2C)C1.

What is the InChIKey of 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?

The InChIKey is PJNTVOIAFZAJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-15-9-25(10-15,23-30-27-14-31(23)4)17-8-18(12-26-11-17)28-22(33)20-7-16(13-32)19-5-6-24(2,3)21(19)29-20/h7-8,11-12,14-15,32H,5-6,9-10,13H2,1-4H3,(H,28,33).

What are the key properties of 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide?

4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(hydroxymethyl)-7,7-dimethyl-N-[5-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]-3-pyridinyl]-5,6-dihydrocyclopenta[b]pyridine-2-carboxamide is sourced from PubChem (CID 175953627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).