N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide

C17H19FN4O2 — CID 91626426

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-11-15(3-2-8-19-11)16(23)22-13-4-6-14(7-5-13)24-17-20-9-12(18)10-21-17/h2-3,8-10,13-14H,4-7H2,1H3,(H,22,23)
InChIKeyZTCCLTSBOLWSRF-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.44
Rot. Bonds4

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 91626426) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID91626426
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H19FN4O2/c1-11-15(3-2-8-19-11)16(23)22-13-4-6-14(7-5-13)24-17-20-9-12(18)10-21-17/h2-3,8-10,13-14H,4-7H2,1H3,(H,22,23)
InChIKeyZTCCLTSBOLWSRF-UHFFFAOYSA-N
XLogP2.44
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.44
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]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide (CID 91626426) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ZTCCLTSBOLWSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-15(3-2-8-19-11)16(23)22-13-4-6-14(7-5-13)24-17-20-9-12(18)10-21-17/h2-3,8-10,13-14H,4-7H2,1H3,(H,22,23).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.44, 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]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 91626426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).