tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen

C32H40N6O4 — CID 144563910

About tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen

tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen (PubChem CID 144563910) has the molecular formula C32H40N6O4 and a molecular weight of 572.71 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen.

Molecular Properties

• Compound Name: tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen
• PubChem CID: 144563910
• Molecular Formula: C32H40N6O4
• Molecular Weight: 572.71 g/mol
• Exact Mass: 572.31
• IUPAC Name: tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen
• SMILES: CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(-c3ccc(CC(=O)NCc4ccccn4)cc3)nc2)C2CC2)CC1.[H][H]
• InChI: InChI=1S/C32H38N6O4.H2/c1-32(2,3)42-31(41)37-16-13-27(14-17-37)38(26-11-12-26)30(40)24-19-35-29(36-20-24)23-9-7-22(8-10-23)18-28(39)34-21-25-6-4-5-15-33-25;/h4-10,15,19-20,26-27H,11-14,16-18,21H2,1-3H3,(H,34,39);1H
• InChIKey: DWSNKCFWYOJXMF-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 117.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.71
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen?

The IUPAC name of tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen (CID 144563910) is tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen.

What is the SMILES notation for tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen?

The canonical SMILES for tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen is CC(C)(C)OC(=O)N1CCC(N(C(=O)c2cnc(-c3ccc(CC(=O)NCc4ccccn4)cc3)nc2)C2CC2)CC1.[H][H].

What is the InChIKey of tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen?

The InChIKey is DWSNKCFWYOJXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O4.H2/c1-32(2,3)42-31(41)37-16-13-27(14-17-37)38(26-11-12-26)30(40)24-19-35-29(36-20-24)23-9-7-22(8-10-23)18-28(39)34-21-25-6-4-5-15-33-25;/h4-10,15,19-20,26-27H,11-14,16-18,21H2,1-3H3,(H,34,39);1H.

What are the key properties of tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen?

tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen has a molecular weight of 572.71 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[cyclopropyl-[2-[4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]phenyl]pyrimidine-5-carbonyl]amino]piperidine-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 144563910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).