trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide

C28H33N3O — CID 155524122

About trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 155524122) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
• PubChem CID: 155524122
• Molecular Formula: C28H33N3O
• Molecular Weight: 427.59 g/mol
• Exact Mass: 427.26
• IUPAC Name: trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
• SMILES: CCCc1ccc(-c2ccc(N(CC(C)(C)N)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1
• InChI: InChI=1S/C28H33N3O/c1-4-7-20-9-11-21(12-10-20)22-13-15-23(16-14-22)31(19-28(2,3)29)27(32)25-18-24(25)26-8-5-6-17-30-26/h5-6,8-17,24-25H,4,7,18-19,29H2,1-3H3/t24-,25-/m1/s1
• InChIKey: OJVKAEMBNYZSEA-JWQCQUIFSA-N
• XLogP: 5.58
• TPSA: 59.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.59
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide (CID 155524122) is trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide is CCCc1ccc(-c2ccc(N(CC(C)(C)N)C(=O)[C@@H]3C[C@H]3c3ccccn3)cc2)cc1.

What is the InChIKey of trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide?

The InChIKey is OJVKAEMBNYZSEA-JWQCQUIFSA-N. The full InChI is InChI=1S/C28H33N3O/c1-4-7-20-9-11-21(12-10-20)22-13-15-23(16-14-22)31(19-28(2,3)29)27(32)25-18-24(25)26-8-5-6-17-30-26/h5-6,8-17,24-25H,4,7,18-19,29H2,1-3H3/t24-,25-/m1/s1.

What are the key properties of trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide?

trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 427.59 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-(2-amino-2-methylpropyl)-N-[4-(4-propylphenyl)phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 155524122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).