tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate

C18H23N3O2 — CID 102545371

IUPACtert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate
SMILESCc1cc(Nc2ccccc2)ncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H23N3O2/c1-13-10-16(21-15-8-6-5-7-9-15)19-11-14(13)12-20-17(22)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyILPNEYVDCAPCPQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate

tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate (PubChem CID 102545371) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate
PubChem CID102545371
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate
SMILESCc1cc(Nc2ccccc2)ncc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C18H23N3O2/c1-13-10-16(21-15-8-6-5-7-9-15)19-11-14(13)12-20-17(22)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyILPNEYVDCAPCPQ-UHFFFAOYSA-N
XLogP4.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
CID 136664415
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tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438
tert-butyl N-[[4-(2-benzoylphenyl)-6-chloro-3-pyridinyl]methyl]carbamate
CID 59302623
tert-butyl N-(anilinomethyl)carbamate
CID 87555144
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
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tert-butyl N-[[3-methyl-4-(2-triphenylsilylsulfanylethyl)phenyl]methyl]carbamate
CID 89113221
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[(4-ethynyl-2-methylphenyl)methyl]carbamate
CID 166459968
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
2-methyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]terephthalic acid
CID 118136708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate (CID 102545371) is tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate is Cc1cc(Nc2ccccc2)ncc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate?
The InChIKey is ILPNEYVDCAPCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-10-16(21-15-8-6-5-7-9-15)19-11-14(13)12-20-17(22)23-18(2,3)4/h5-11H,12H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate?
tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-anilino-4-methyl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 102545371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).