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

C23H25N3O2 — CID 121449320

IUPACtert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2ncc(N)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-14-16-9-11-18(12-10-16)21-20(13-19(24)15-25-21)17-7-5-4-6-8-17/h4-13,15H,14,24H2,1-3H3,(H,26,27)
InChIKeyCOCGMOQNNMYZEL-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.02
Rot. Bonds4

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

tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate (PubChem CID 121449320) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
PubChem CID121449320
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Nametert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2ncc(N)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-14-16-9-11-18(12-10-16)21-20(13-19(24)15-25-21)17-7-5-4-6-8-17/h4-13,15H,14,24H2,1-3H3,(H,26,27)
InChIKeyCOCGMOQNNMYZEL-UHFFFAOYSA-N
XLogP5.02
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]propan-2-yl]carbamate
CID 121449253
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
tert-butyl N-[[4-(8-iodo-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]carbamate
CID 58524660
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-[5-[N-(1-aminoethylidene)carbamimidoyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 91226793
tert-butyl N-[[4-(3-methoxy-2-pyridinyl)phenyl]methyl]carbamate
CID 171625964
tert-butyl N-[[4-(2-cyanophenyl)phenyl]methyl]carbamate
CID 11529658
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[[4-(6-formyl-3-pyridinyl)phenyl]methyl]carbamate
CID 134274886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate (CID 121449320) is tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(-c2ncc(N)cc2-c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate?
The InChIKey is COCGMOQNNMYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)28-22(27)26-14-16-9-11-18(12-10-16)21-20(13-19(24)15-25-21)17-7-5-4-6-8-17/h4-13,15H,14,24H2,1-3H3,(H,26,27).
What are the key properties of tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate?
tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(5-amino-3-phenyl-2-pyridinyl)phenyl]methyl]carbamate is sourced from PubChem (CID 121449320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).