N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide

C17H19FN4O3 — CID 90634131

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1=O
InChIInChI=1S/C17H19FN4O3/c1-22-8-2-3-14(16(22)24)15(23)21-12-4-6-13(7-5-12)25-17-19-9-11(18)10-20-17/h2-3,8-10,12-13H,4-7H2,1H3,(H,21,23)
InChIKeyVHKYMZGHMOKRIV-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.43
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 90634131) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID90634131
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1=O
InChIInChI=1S/C17H19FN4O3/c1-22-8-2-3-14(16(22)24)15(23)21-12-4-6-13(7-5-12)25-17-19-9-11(18)10-20-17/h2-3,8-10,12-13H,4-7H2,1H3,(H,21,23)
InChIKeyVHKYMZGHMOKRIV-UHFFFAOYSA-N
XLogP1.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 90634131) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NC2CCC(Oc3ncc(F)cn3)CC2)c1=O.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is VHKYMZGHMOKRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-22-8-2-3-14(16(22)24)15(23)21-12-4-6-13(7-5-12)25-17-19-9-11(18)10-20-17/h2-3,8-10,12-13H,4-7H2,1H3,(H,21,23).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 90634131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).