tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate

C18H22N4O3 — CID 113035163

IUPACtert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1
InChIInChI=1S/C18H22N4O3/c1-12(23)20-13-6-5-7-14(10-13)21-15-8-9-16(19-11-15)22-17(24)25-18(2,3)4/h5-11,21H,1-4H3,(H,20,23)(H,19,22,24)
InChIKeyFPARYZUJVSCIOF-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.13
Rot. Bonds4

About tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate

tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate (PubChem CID 113035163) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
PubChem CID113035163
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nametert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
SMILESCC(=O)Nc1cccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1
InChIInChI=1S/C18H22N4O3/c1-12(23)20-13-6-5-7-14(10-13)21-15-8-9-16(19-11-15)22-17(24)25-18(2,3)4/h5-11,21H,1-4H3,(H,20,23)(H,19,22,24)
InChIKeyFPARYZUJVSCIOF-UHFFFAOYSA-N
XLogP4.13
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
tert-butyl N-[5-(3-chloroanilino)-2-pyridinyl]carbamate
CID 113033323
tert-butyl N-[5-(3-cyanoanilino)-2-pyridinyl]carbamate
CID 113037201
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
tert-butyl N-[5-(4-bromo-3-methylanilino)-2-pyridinyl]carbamate
CID 113036118
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126
N-[5-(3-acetamidoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113035132
tert-butyl N-[5-[4-(diethylamino)anilino]-2-pyridinyl]carbamate
CID 113035609
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]benzoate
CID 113035292
tert-butyl N-[5-(2,5-dimethylanilino)-2-pyridinyl]carbamate
CID 113032056
N-[5-(3-acetamidoanilino)-2-pyridinyl]-3-chlorobenzamide
CID 113035147
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate (CID 113035163) is tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate is CC(=O)Nc1cccc(Nc2ccc(NC(=O)OC(C)(C)C)nc2)c1.
What is the InChIKey of tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
The InChIKey is FPARYZUJVSCIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12(23)20-13-6-5-7-14(10-13)21-15-8-9-16(19-11-15)22-17(24)25-18(2,3)4/h5-11,21H,1-4H3,(H,20,23)(H,19,22,24).
What are the key properties of tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate?
tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate is sourced from PubChem (CID 113035163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).