tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate

C24H26N4O3 — CID 25150915

IUPACtert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H26N4O3/c1-24(2,3)31-23(30)26-15-16-9-11-18(12-10-16)22(29)28-21-19(25)13-14-20(27-21)17-7-5-4-6-8-17/h4-14H,15,25H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyZBQMSKMXGCSGKO-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.61
Rot. Bonds5

About tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 25150915) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID25150915
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Nametert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1
InChIInChI=1S/C24H26N4O3/c1-24(2,3)31-23(30)26-15-16-9-11-18(12-10-16)22(29)28-21-19(25)13-14-20(27-21)17-7-5-4-6-8-17/h4-14H,15,25H2,1-3H3,(H,26,30)(H,27,28,29)
InChIKeyZBQMSKMXGCSGKO-UHFFFAOYSA-N
XLogP4.61
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 25153921
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-4-ylacetyl)amino]methyl]benzamide
CID 25153720
N-(3-amino-6-phenyl-2-pyridinyl)-4-[(2-methoxypropylamino)methyl]benzamide
CID 68727277
N-(3-amino-6-phenyl-2-pyridinyl)-4-[[(2-pyridin-2-ylacetyl)amino]methyl]benzamide
CID 25153718
[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl-propan-2-ylcarbamic acid
CID 68783766
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
methyl N-[[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 25032862
tert-butyl N-[[4-[[2-(2-amino-2-oxoethyl)sulfanylphenyl]carbamoyl]phenyl]methyl]carbamate
CID 46636864
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
CID 108917509
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
tert-butyl N-[2-[[2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]quinazolin-4-yl]amino]ethyl]carbamate;2,2,2-trifluoroacetic acid
CID 157309221
N-(3-amino-6-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 146525533

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (CID 25150915) is tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccccc3)ccc2N)cc1.
What is the InChIKey of tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is ZBQMSKMXGCSGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-24(2,3)31-23(30)26-15-16-9-11-18(12-10-16)22(29)28-21-19(25)13-14-20(27-21)17-7-5-4-6-8-17/h4-14H,15,25H2,1-3H3,(H,26,30)(H,27,28,29).
What are the key properties of tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 418.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(3-amino-6-phenyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 25150915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).