[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone

C21H21N5O — CID 16669455

IUPAC[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C21H21N5O/c1-15-24-14-18(16-5-10-22-11-6-16)20(25-15)17-7-12-26(13-8-17)21(27)19-4-2-3-9-23-19/h2-6,9-11,14,17H,7-8,12-13H2,1H3
InChIKeyKTWJCWWALVVIJV-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.26
Rot. Bonds3

About [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone

[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 16669455) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID16669455
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccn3)CC2)n1
InChIInChI=1S/C21H21N5O/c1-15-24-14-18(16-5-10-22-11-6-16)20(25-15)17-7-12-26(13-8-17)21(27)19-4-2-3-9-23-19/h2-6,9-11,14,17H,7-8,12-13H2,1H3
InChIKeyKTWJCWWALVVIJV-UHFFFAOYSA-N
XLogP3.26
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 16669455) is [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone is Cc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccn3)CC2)n1.
What is the InChIKey of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is KTWJCWWALVVIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-15-24-14-18(16-5-10-22-11-6-16)20(25-15)17-7-12-26(13-8-17)21(27)19-4-2-3-9-23-19/h2-6,9-11,14,17H,7-8,12-13H2,1H3.
What are the key properties of [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone?
[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 359.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 16669455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).