4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

C21H23N5O2 — CID 166603752

IUPAC4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCc1nnc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)c2ccccc12
InChIInChI=1S/C21H23N5O2/c1-14-17-4-2-3-5-18(17)21(25-24-14)26-10-7-15(8-11-26)13-28-16-6-9-23-19(12-16)20(22)27/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H2,22,27)
InChIKeyIVVKXUZYTCQRAP-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.73
Rot. Bonds5

About 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166603752) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166603752
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCc1nnc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)c2ccccc12
InChIInChI=1S/C21H23N5O2/c1-14-17-4-2-3-5-18(17)21(25-24-14)26-10-7-15(8-11-26)13-28-16-6-9-23-19(12-16)20(22)27/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H2,22,27)
InChIKeyIVVKXUZYTCQRAP-UHFFFAOYSA-N
XLogP2.73
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166603752) is 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is Cc1nnc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)c2ccccc12.
What is the InChIKey of 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is IVVKXUZYTCQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-17-4-2-3-5-18(17)21(25-24-14)26-10-7-15(8-11-26)13-28-16-6-9-23-19(12-16)20(22)27/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H2,22,27).
What are the key properties of 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166603752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).