4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

C17H21N5O2 — CID 166602502

IUPAC4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCc1cc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-12-8-16(21-11-20-12)22-6-3-13(4-7-22)10-24-14-2-5-19-15(9-14)17(18)23/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,18,23)
InChIKeyLWTXAYJKUREJPS-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.57
Rot. Bonds5

About 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide

4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (PubChem CID 166602502) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
PubChem CID166602502
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide
SMILESCc1cc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)ncn1
InChIInChI=1S/C17H21N5O2/c1-12-8-16(21-11-20-12)22-6-3-13(4-7-22)10-24-14-2-5-19-15(9-14)17(18)23/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,18,23)
InChIKeyLWTXAYJKUREJPS-UHFFFAOYSA-N
XLogP1.57
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide (CID 166602502) is 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is Cc1cc(N2CCC(COc3ccnc(C(N)=O)c3)CC2)ncn1.
What is the InChIKey of 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
The InChIKey is LWTXAYJKUREJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-8-16(21-11-20-12)22-6-3-13(4-7-22)10-24-14-2-5-19-15(9-14)17(18)23/h2,5,8-9,11,13H,3-4,6-7,10H2,1H3,(H2,18,23).
What are the key properties of 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide?
4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 166602502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).