tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

C17H21FN4O2 — CID 110187558

IUPACtert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
InChIInChI=1S/C17H21FN4O2/c1-17(2,3)24-16(23)21-13-8-9-14(22-15(13)19)20-10-11-4-6-12(18)7-5-11/h4-9H,10H2,1-3H3,(H,21,23)(H3,19,20,22)
InChIKeyGGJVTBSLPKHBCZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.76
Rot. Bonds4

About tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 110187558) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID110187558
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Nametert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
InChIInChI=1S/C17H21FN4O2/c1-17(2,3)24-16(23)21-13-8-9-14(22-15(13)19)20-10-11-4-6-12(18)7-5-11/h4-9H,10H2,1-3H3,(H,21,23)(H3,19,20,22)
InChIKeyGGJVTBSLPKHBCZ-UHFFFAOYSA-N
XLogP3.76
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 110187558) is tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N.
What is the InChIKey of tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is GGJVTBSLPKHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-17(2,3)24-16(23)21-13-8-9-14(22-15(13)19)20-10-11-4-6-12(18)7-5-11/h4-9H,10H2,1-3H3,(H,21,23)(H3,19,20,22).
What are the key properties of tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 332.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110187558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).