5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one

C22H25N5O — CID 138379695

IUPAC5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccnc(N3CCC(Cc4ccc(=O)[nH]c4)CC3)n2)c(C)n1
InChIInChI=1S/C22H25N5O/c1-15-3-5-19(16(2)25-15)20-7-10-23-22(26-20)27-11-8-17(9-12-27)13-18-4-6-21(28)24-14-18/h3-7,10,14,17H,8-9,11-13H2,1-2H3,(H,24,28)
InChIKeyLPQQQWLPPPDSDR-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.30
Rot. Bonds4

About 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138379695) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138379695
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCc1ccc(-c2ccnc(N3CCC(Cc4ccc(=O)[nH]c4)CC3)n2)c(C)n1
InChIInChI=1S/C22H25N5O/c1-15-3-5-19(16(2)25-15)20-7-10-23-22(26-20)27-11-8-17(9-12-27)13-18-4-6-21(28)24-14-18/h3-7,10,14,17H,8-9,11-13H2,1-2H3,(H,24,28)
InChIKeyLPQQQWLPPPDSDR-UHFFFAOYSA-N
XLogP3.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-2-amine
CID 56872592
4-amino-2-[4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidin-1-yl]pyrimidine-5-carbonitrile
CID 138380855
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 134709074
1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine
CID 72904735
2-[4-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 56875539
5-[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 134706824
2-(4-benzylpiperidin-1-yl)-4-pyrrolidin-1-ylpyrimidine
CID 112883873
5-[[1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 138384300
5-[[1-(2-amino-7H-purin-6-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
CID 137343874
2-(4-ethylpiperidin-1-yl)-4-methylpyrimidine
CID 170581547
(1S,5S)-3-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133123561
(1R,5R)-3-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 72936084

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138379695) is 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one is Cc1ccc(-c2ccnc(N3CCC(Cc4ccc(=O)[nH]c4)CC3)n2)c(C)n1.
What is the InChIKey of 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is LPQQQWLPPPDSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-3-5-19(16(2)25-15)20-7-10-23-22(26-20)27-11-8-17(9-12-27)13-18-4-6-21(28)24-14-18/h3-7,10,14,17H,8-9,11-13H2,1-2H3,(H,24,28).
What are the key properties of 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138379695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).