ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate

C15H19FN4O2 — CID 123284761

About ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate

ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate (PubChem CID 123284761) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate
• PubChem CID: 123284761
• Molecular Formula: C15H19FN4O2
• Molecular Weight: 306.34 g/mol
• Exact Mass: 306.15
• IUPAC Name: ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate
• SMILES: CCOC(=O)Nc1ccc(NCC2=CCC(F)C=C2)nc1N
• InChI: InChI=1S/C15H19FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,19,21)(H3,17,18,20)
• InChIKey: IIJKGFCXQYEFCE-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 89.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.34
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate?

The IUPAC name of ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate (CID 123284761) is ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate.

What is the SMILES notation for ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate?

The canonical SMILES for ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCC2=CCC(F)C=C2)nc1N.

What is the InChIKey of ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate?

The InChIKey is IIJKGFCXQYEFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10/h3-5,7-8,11H,2,6,9H2,1H3,(H,19,21)(H3,17,18,20).

What are the key properties of ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate?

ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate has a molecular weight of 306.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[2-amino-6-[(4-fluorocyclohexa-1,5-dien-1-yl)methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 123284761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).