tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate

C20H19FN4O2 — CID 178156569

IUPACtert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccc(F)nc2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H19FN4O2/c1-20(2,3)27-19(26)25-18-11-15(14-4-5-17(21)23-12-14)10-16(24-18)13-6-8-22-9-7-13/h4-12H,1-3H3,(H,24,25,26)
InChIKeyDQYYBJXUJJGNIJ-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.69
Rot. Bonds3

About tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate

tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate (PubChem CID 178156569) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate
PubChem CID178156569
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Nametert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(-c2ccc(F)nc2)cc(-c2ccncc2)n1
InChIInChI=1S/C20H19FN4O2/c1-20(2,3)27-19(26)25-18-11-15(14-4-5-17(21)23-12-14)10-16(24-18)13-6-8-22-9-7-13/h4-12H,1-3H3,(H,24,25,26)
InChIKeyDQYYBJXUJJGNIJ-UHFFFAOYSA-N
XLogP4.69
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[4-(3-fluorophenyl)-2-pyridinyl]carbamate
CID 173186178
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 53241957
tert-butyl N-(4-formyl-5-pyridin-4-yl-2-pyridinyl)carbamate
CID 162625012
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl 2-[6-fluoro-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-2-pyridinyl]pyrrolo[2,3-c]pyridine-1-carboxylate
CID 160640988
5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid
CID 137407913
tert-butyl N-[4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-2-pyridinyl]carbamate
CID 23080651
tert-butyl N-(2-pyridin-4-yl-1,3-thiazol-5-yl)carbamate
CID 130690764
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
CID 86671106
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
[4-(6-fluoro-3-pyridinyl)-2-pyridinyl]urea
CID 68805754
tert-butyl N-[6-(5-fluoro-2-pyridinyl)-2-pyridinyl]carbamate
CID 171682686

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate (CID 178156569) is tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cc(-c2ccc(F)nc2)cc(-c2ccncc2)n1.
What is the InChIKey of tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate?
The InChIKey is DQYYBJXUJJGNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-20(2,3)27-19(26)25-18-11-15(14-4-5-17(21)23-12-14)10-16(24-18)13-6-8-22-9-7-13/h4-12H,1-3H3,(H,24,25,26).
What are the key properties of tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate?
tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate has a molecular weight of 366.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-fluoro-3-pyridinyl)-6-pyridin-4-yl-2-pyridinyl]carbamate is sourced from PubChem (CID 178156569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).