4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide

C16H15FN6O — CID 53322429

IUPAC4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ncccn3)c(F)ccc2c1N
InChIInChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24)
InChIKeyOKKCDBHXMZEFNG-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.95
Rot. Bonds4

About 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide

4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide (PubChem CID 53322429) has the molecular formula C16H15FN6O and a molecular weight of 326.34 g/mol. Its IUPAC name is 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide
PubChem CID53322429
Molecular FormulaC16H15FN6O
Molecular Weight326.34 g/mol
Exact Mass326.13
IUPAC Name4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ncccn3)c(F)ccc2c1N
InChIInChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24)
InChIKeyOKKCDBHXMZEFNG-UHFFFAOYSA-N
XLogP1.95
TPSA106.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
The IUPAC name of 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide (CID 53322429) is 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ncccn3)c(F)ccc2c1N.
What is the InChIKey of 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
The InChIKey is OKKCDBHXMZEFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24).
What are the key properties of 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide?
4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide has a molecular weight of 326.34 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-fluoro-N-propyl-8-pyrimidin-2-ylcinnoline-3-carboxamide is sourced from PubChem (CID 53322429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).