6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide

C23H24FN5O3 — CID 57461512

IUPAC6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C(CC2CCCCC2)n2cnc3ccc(F)cc3c2=O)nc1
InChIInChI=1S/C23H24FN5O3/c24-16-7-8-18-17(11-16)23(32)29(13-27-18)19(10-14-4-2-1-3-5-14)22(31)28-20-9-6-15(12-26-20)21(25)30/h6-9,11-14,19H,1-5,10H2,(H2,25,30)(H,26,28,31)
InChIKeyLTQLFOPVAHHBCM-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.18
Rot. Bonds6

About 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide

6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide (PubChem CID 57461512) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
PubChem CID57461512
Molecular FormulaC23H24FN5O3
Molecular Weight437.48 g/mol
Exact Mass437.19
IUPAC Name6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C(CC2CCCCC2)n2cnc3ccc(F)cc3c2=O)nc1
InChIInChI=1S/C23H24FN5O3/c24-16-7-8-18-17(11-16)23(32)29(13-27-18)19(10-14-4-2-1-3-5-14)22(31)28-20-9-6-15(12-26-20)21(25)30/h6-9,11-14,19H,1-5,10H2,(H2,25,30)(H,26,28,31)
InChIKeyLTQLFOPVAHHBCM-UHFFFAOYSA-N
XLogP3.18
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide (CID 57461512) is 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide is NC(=O)c1ccc(NC(=O)C(CC2CCCCC2)n2cnc3ccc(F)cc3c2=O)nc1.
What is the InChIKey of 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide?
The InChIKey is LTQLFOPVAHHBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3/c24-16-7-8-18-17(11-16)23(32)29(13-27-18)19(10-14-4-2-1-3-5-14)22(31)28-20-9-6-15(12-26-20)21(25)30/h6-9,11-14,19H,1-5,10H2,(H2,25,30)(H,26,28,31).
What are the key properties of 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide?
6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide has a molecular weight of 437.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanoyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 57461512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).