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

C20H19FN4O2 — CID 15152219

IUPACbenzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H19FN4O2/c21-16-8-6-14(7-9-16)12-23-18-11-10-17(19(22)25-18)24-20(26)27-13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,24,26)(H3,22,23,25)
InChIKeyGSTBFVUTRDGQEP-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.16
Rot. Bonds6

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

benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (PubChem CID 15152219) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
PubChem CID15152219
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Namebenzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCc1ccccc1
InChIInChI=1S/C20H19FN4O2/c21-16-8-6-14(7-9-16)12-23-18-11-10-17(19(22)25-18)24-20(26)27-13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,24,26)(H3,22,23,25)
InChIKeyGSTBFVUTRDGQEP-UHFFFAOYSA-N
XLogP4.16
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The IUPAC name of benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate (CID 15152219) is benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
The InChIKey is GSTBFVUTRDGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-8-6-14(7-9-16)12-23-18-11-10-17(19(22)25-18)24-20(26)27-13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,24,26)(H3,22,23,25).
What are the key properties of benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate?
benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 366.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 15152219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).