tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate

C25H29N3O2 — CID 121449253

IUPACtert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ncc(N)cc2-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O2/c1-24(2,3)30-23(29)28-25(4,5)19-13-11-18(12-14-19)22-21(15-20(26)16-27-22)17-9-7-6-8-10-17/h6-16H,26H2,1-5H3,(H,28,29)
InChIKeyHAZLACKTMPLOKU-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.76
Rot. Bonds4

About tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate

tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate (PubChem CID 121449253) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
PubChem CID121449253
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Nametert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ncc(N)cc2-c2ccccc2)cc1
InChIInChI=1S/C25H29N3O2/c1-24(2,3)30-23(29)28-25(4,5)19-13-11-18(12-14-19)22-21(15-20(26)16-27-22)17-9-7-6-8-10-17/h6-16H,26H2,1-5H3,(H,28,29)
InChIKeyHAZLACKTMPLOKU-UHFFFAOYSA-N
XLogP5.76
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
CID 121449320
tert-butyl N-[2-[4-[5-[[2-[4-[acetyl(methyl)amino]cyclohexyl]acetyl]amino]-3-phenyl-2-pyridinyl]phenyl]propan-2-yl]carbamate
CID 140840656
tert-butyl N-[2-[4-[5-[[2-[4-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]acetyl]amino]-3-phenyl-2-pyridinyl]phenyl]propan-2-yl]carbamate
CID 140840547
2-[4-(5-nitro-3-phenyl-2-pyridinyl)phenyl]propan-2-ylcarbamic acid
CID 121438934
tert-butyl N-[2-[2-fluoro-4-(5-nitro-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
CID 139271244
tert-butyl N-[(1S)-1-[4-(5-nitro-3-phenyl-2-pyridinyl)phenyl]ethyl]carbamate
CID 140840542
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyridine-2-carboxylic acid
CID 171652736
2-[4-[5-[[2-[4-(methylamino)cyclohexyl]acetyl]amino]-3-phenyl-2-pyridinyl]phenyl]propan-2-ylcarbamic acid
CID 121439148
tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
CID 133062885
tert-butyl N-(5-amino-2-phenylphenyl)carbamate
CID 68789510
methyl N-[2-(4-aminophenyl)propan-2-yl]carbamate
CID 139316286
tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
CID 167211985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate (CID 121449253) is tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)c1ccc(-c2ncc(N)cc2-c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate?
The InChIKey is HAZLACKTMPLOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-24(2,3)30-23(29)28-25(4,5)19-13-11-18(12-14-19)22-21(15-20(26)16-27-22)17-9-7-6-8-10-17/h6-16H,26H2,1-5H3,(H,28,29).
What are the key properties of tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate?
tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate has a molecular weight of 403.53 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 121449253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).