N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

C16H17FN4O3 — CID 91626358

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H17FN4O3/c17-11-8-19-16(20-9-11)24-13-4-2-12(3-5-13)21-15(23)10-1-6-14(22)18-7-10/h1,6-9,12-13H,2-5H2,(H,18,22)(H,21,23)
InChIKeyRPTVNGKOSGDACJ-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.42
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91626358) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91626358
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H17FN4O3/c17-11-8-19-16(20-9-11)24-13-4-2-12(3-5-13)21-15(23)10-1-6-14(22)18-7-10/h1,6-9,12-13H,2-5H2,(H,18,22)(H,21,23)
InChIKeyRPTVNGKOSGDACJ-UHFFFAOYSA-N
XLogP1.42
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (CID 91626358) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RPTVNGKOSGDACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c17-11-8-19-16(20-9-11)24-13-4-2-12(3-5-13)21-15(23)10-1-6-14(22)18-7-10/h1,6-9,12-13H,2-5H2,(H,18,22)(H,21,23).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91626358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).