N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide

C16H17FN4O2 — CID 91626392

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccncc1
InChIInChI=1S/C16H17FN4O2/c17-12-9-19-16(20-10-12)23-14-3-1-13(2-4-14)21-15(22)11-5-7-18-8-6-11/h5-10,13-14H,1-4H2,(H,21,22)
InChIKeyBOCIOIUTWGFJBU-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.13
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide (PubChem CID 91626392) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide
PubChem CID91626392
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide
SMILESO=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccncc1
InChIInChI=1S/C16H17FN4O2/c17-12-9-19-16(20-10-12)23-14-3-1-13(2-4-14)21-15(22)11-5-7-18-8-6-11/h5-10,13-14H,1-4H2,(H,21,22)
InChIKeyBOCIOIUTWGFJBU-UHFFFAOYSA-N
XLogP2.13
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide (CID 91626392) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide is O=C(NC1CCC(Oc2ncc(F)cn2)CC1)c1ccncc1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide?
The InChIKey is BOCIOIUTWGFJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-12-9-19-16(20-10-12)23-14-3-1-13(2-4-14)21-15(22)11-5-7-18-8-6-11/h5-10,13-14H,1-4H2,(H,21,22).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pyridine-4-carboxamide is sourced from PubChem (CID 91626392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).