6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide

C18H22N4O3 — CID 138024815

IUPAC6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cn1
InChIInChI=1S/C18H22N4O3/c1-13(2)25-15-5-4-14(12-21-15)16(23)22-18(6-10-24-11-7-18)17-19-8-3-9-20-17/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,23)
InChIKeyKFAHKKDAZJMYSP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.09
Rot. Bonds5

About 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide

6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide (PubChem CID 138024815) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide
PubChem CID138024815
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cn1
InChIInChI=1S/C18H22N4O3/c1-13(2)25-15-5-4-14(12-21-15)16(23)22-18(6-10-24-11-7-18)17-19-8-3-9-20-17/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,23)
InChIKeyKFAHKKDAZJMYSP-UHFFFAOYSA-N
XLogP2.09
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide (CID 138024815) is 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cn1.
What is the InChIKey of 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide?
The InChIKey is KFAHKKDAZJMYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13(2)25-15-5-4-14(12-21-15)16(23)22-18(6-10-24-11-7-18)17-19-8-3-9-20-17/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,23).
What are the key properties of 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide?
6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-N-(4-pyrimidin-2-yloxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 138024815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).