[4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate

C26H30F3N3O4 — CID 143594595

About [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate

[4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate (PubChem CID 143594595) has the molecular formula C26H30F3N3O4 and a molecular weight of 505.54 g/mol. Its IUPAC name is [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate.

Molecular Properties

• Compound Name: [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
• PubChem CID: 143594595
• Molecular Formula: C26H30F3N3O4
• Molecular Weight: 505.54 g/mol
• Exact Mass: 505.22
• IUPAC Name: [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate
• SMILES: NC(=O)OCC1(c2ccccn2)CCC(N(C(=O)c2ccc(C(CO)C(F)(F)F)cc2)C2CC2)CC1
• InChI: InChI=1S/C26H30F3N3O4/c27-26(28,29)21(15-33)17-4-6-18(7-5-17)23(34)32(19-8-9-19)20-10-12-25(13-11-20,16-36-24(30)35)22-3-1-2-14-31-22/h1-7,14,19-21,33H,8-13,15-16H2,(H2,30,35)
• InChIKey: PCWYHKDYKWTMAV-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 105.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.54
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?

The IUPAC name of [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate (CID 143594595) is [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate.

What is the SMILES notation for [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?

The canonical SMILES for [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate is NC(=O)OCC1(c2ccccn2)CCC(N(C(=O)c2ccc(C(CO)C(F)(F)F)cc2)C2CC2)CC1.

What is the InChIKey of [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?

The InChIKey is PCWYHKDYKWTMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O4/c27-26(28,29)21(15-33)17-4-6-18(7-5-17)23(34)32(19-8-9-19)20-10-12-25(13-11-20,16-36-24(30)35)22-3-1-2-14-31-22/h1-7,14,19-21,33H,8-13,15-16H2,(H2,30,35).

What are the key properties of [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate?

[4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate has a molecular weight of 505.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[cyclopropyl-[4-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzoyl]amino]-1-pyridin-2-ylcyclohexyl]methyl carbamate is sourced from PubChem (CID 143594595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).