9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

C27H23FN4O2 — CID 110186506

IUPAC9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23FN4O2/c28-18-11-9-17(10-12-18)15-30-25-14-13-24(26(29)32-25)31-27(33)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-14,23H,15-16H2,(H,31,33)(H3,29,30,32)
InChIKeyMAIQQUNRJRHTAC-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.78
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate

9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 110186506) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID110186506
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H23FN4O2/c28-18-11-9-17(10-12-18)15-30-25-14-13-24(26(29)32-25)31-27(33)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-14,23H,15-16H2,(H,31,33)(H3,29,30,32)
InChIKeyMAIQQUNRJRHTAC-UHFFFAOYSA-N
XLogP5.78
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 110186506) is 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is MAIQQUNRJRHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c28-18-11-9-17(10-12-18)15-30-25-14-13-24(26(29)32-25)31-27(33)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-14,23H,15-16H2,(H,31,33)(H3,29,30,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 454.51 g/mol, XLogP of 5.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110186506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).