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

C16H20N4O2 — CID 178174217

IUPACtert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Nc2cnccc2N)cc1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)20-12-6-4-11(5-7-12)19-14-10-18-9-8-13(14)17/h4-10,19H,1-3H3,(H2,17,18)(H,20,21)
InChIKeyNMRIENMPPCYDPK-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.75
Rot. Bonds3

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

tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate (PubChem CID 178174217) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
PubChem CID178174217
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Nametert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(Nc2cnccc2N)cc1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)20-12-6-4-11(5-7-12)19-14-10-18-9-8-13(14)17/h4-10,19H,1-3H3,(H2,17,18)(H,20,21)
InChIKeyNMRIENMPPCYDPK-UHFFFAOYSA-N
XLogP3.75
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(2-aminoanilino)phenyl]carbamate
CID 129052010
3-N-(4-methylphenyl)pyridine-3,4-diamine
CID 13441291
tert-butyl N-(2-aminophenyl)carbamate;tert-butyl N-(4-aminophenyl)carbamate
CID 159167301
tert-butyl N-[4-(methoxycarbamoylamino)phenyl]carbamate
CID 86597246
tert-butyl N-(3-amino-4-methylphenyl)carbamate;hydrobromide
CID 131885239
tert-butyl N-(5-amino-4-methyl-3-pyridinyl)carbamate
CID 133060985
tert-butyl N-(3-tert-butyl-4-pyridinyl)carbamate
CID 19871466
tert-butyl N-[4-amino-3-(2,2,2-trifluoroethylamino)phenyl]carbamate
CID 171512326
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[4-amino-3-(5-bromo-4-fluoro-2-methylanilino)phenyl]carbamate
CID 114199958
tert-butyl N-[3-[(5-aminopyrimidin-2-yl)amino]phenyl]carbamate
CID 90378489
tert-butyl N-(2H-pyridin-2-id-5-yl)carbamate;yttrium
CID 167499959

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate (CID 178174217) is tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(Nc2cnccc2N)cc1.
What is the InChIKey of tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate?
The InChIKey is NMRIENMPPCYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)22-15(21)20-12-6-4-11(5-7-12)19-14-10-18-9-8-13(14)17/h4-10,19H,1-3H3,(H2,17,18)(H,20,21).
What are the key properties of tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate?
tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate has a molecular weight of 300.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-amino-3-pyridinyl)amino]phenyl]carbamate is sourced from PubChem (CID 178174217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).