4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide

C44H50N4O4 — CID 159237700

About 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide

4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide (PubChem CID 159237700) has the molecular formula C44H50N4O4 and a molecular weight of 698.91 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide
• PubChem CID: 159237700
• Molecular Formula: C44H50N4O4
• Molecular Weight: 698.91 g/mol
• Exact Mass: 698.38
• IUPAC Name: 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide
• SMILES: Cc1c(CC(=O)c2cc(C3CC3)c(CNC3CC(O)C3)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CCC3CC(O)C3)cn2)c1C
• InChI: InChI=1S/C44H50N4O4/c1-25-30(17-43(51)41-20-39(29-13-14-29)32(24-46-41)23-45-33-18-35(50)19-33)5-3-6-36(25)37-7-4-8-40(26(37)2)48-44(52)42-21-38(28-11-12-28)31(22-47-42)10-9-27-15-34(49)16-27/h3-8,20-22,24,27-29,33-35,45,49-50H,9-19,23H2,1-2H3,(H,48,52)
• InChIKey: KTRPYGIWBZGSEY-UHFFFAOYSA-N
• XLogP: 7.51
• TPSA: 124.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.91
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide?

The IUPAC name of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide (CID 159237700) is 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide.

What is the SMILES notation for 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide?

The canonical SMILES for 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide is Cc1c(CC(=O)c2cc(C3CC3)c(CNC3CC(O)C3)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(CCC3CC(O)C3)cn2)c1C.

What is the InChIKey of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide?

The InChIKey is KTRPYGIWBZGSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N4O4/c1-25-30(17-43(51)41-20-39(29-13-14-29)32(24-46-41)23-45-33-18-35(50)19-33)5-3-6-36(25)37-7-4-8-40(26(37)2)48-44(52)42-21-38(28-11-12-28)31(22-47-42)10-9-27-15-34(49)16-27/h3-8,20-22,24,27-29,33-35,45,49-50H,9-19,23H2,1-2H3,(H,48,52).

What are the key properties of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide?

4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide has a molecular weight of 698.91 g/mol, XLogP of 7.51, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-[[(3-hydroxycyclobutyl)amino]methyl]-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-[2-(3-hydroxycyclobutyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 159237700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).