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

C19H23N3O3 — CID 17476260

IUPACtert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESCc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nc1
InChIInChI=1S/C19H23N3O3/c1-13-5-10-16(20-11-13)22-17(23)15-8-6-14(7-9-15)12-21-18(24)25-19(2,3)4/h5-11H,12H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyWGXDLXANMYEOKP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.67
Rot. Bonds4

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

tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 17476260) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID17476260
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nametert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESCc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nc1
InChIInChI=1S/C19H23N3O3/c1-13-5-10-16(20-11-13)22-17(23)15-8-6-14(7-9-15)12-21-18(24)25-19(2,3)4/h5-11H,12H2,1-4H3,(H,21,24)(H,20,22,23)
InChIKeyWGXDLXANMYEOKP-UHFFFAOYSA-N
XLogP3.67
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[4-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]phenyl]methyl]carbamate
CID 71940520
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
4-(ethylamino)-N-(5-methyl-2-pyridinyl)benzamide
CID 62172642
tert-butyl N-[[4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9077789
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671
N-[5-(aminomethyl)-2-pyridinyl]-4-methylbenzamide
CID 55063231
tert-butyl N-[[4-(2,3-dimethylbutanoyl)phenyl]methyl]carbamate
CID 139474554
tert-butyl N-[[4-[(trifluoromethylamino)carbamoyl]phenyl]methyl]carbamate
CID 146685470
4-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011759
tert-butyl N-[[4-[[(2-methylpyridine-3-carbonyl)amino]methyl]phenyl]methyl]carbamate
CID 142274095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate (CID 17476260) is tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is Cc1ccc(NC(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)nc1.
What is the InChIKey of tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is WGXDLXANMYEOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-10-16(20-11-13)22-17(23)15-8-6-14(7-9-15)12-21-18(24)25-19(2,3)4/h5-11H,12H2,1-4H3,(H,21,24)(H,20,22,23).
What are the key properties of tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.67, 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-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 17476260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).