2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

C18H18N6O2 — CID 146586014

IUPAC2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESN#Cc1cnc(NC2CC3(C2)CC(Oc2ncccc2C(N)=O)C3)nc1
InChIInChI=1S/C18H18N6O2/c19-8-11-9-22-17(23-10-11)24-12-4-18(5-12)6-13(7-18)26-16-14(15(20)25)2-1-3-21-16/h1-3,9-10,12-13H,4-7H2,(H2,20,25)(H,22,23,24)
InChIKeyMCKVKOFBTGBSHJ-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.64
Rot. Bonds5

About 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide

2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (PubChem CID 146586014) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
PubChem CID146586014
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
SMILESN#Cc1cnc(NC2CC3(C2)CC(Oc2ncccc2C(N)=O)C3)nc1
InChIInChI=1S/C18H18N6O2/c19-8-11-9-22-17(23-10-11)24-12-4-18(5-12)6-13(7-18)26-16-14(15(20)25)2-1-3-21-16/h1-3,9-10,12-13H,4-7H2,(H2,20,25)(H,22,23,24)
InChIKeyMCKVKOFBTGBSHJ-UHFFFAOYSA-N
XLogP1.64
TPSA126.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide (CID 146586014) is 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is N#Cc1cnc(NC2CC3(C2)CC(Oc2ncccc2C(N)=O)C3)nc1.
What is the InChIKey of 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is MCKVKOFBTGBSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c19-8-11-9-22-17(23-10-11)24-12-4-18(5-12)6-13(7-18)26-16-14(15(20)25)2-1-3-21-16/h1-3,9-10,12-13H,4-7H2,(H2,20,25)(H,22,23,24).
What are the key properties of 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide?
2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-cyanopyrimidin-2-yl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 146586014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).