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

C21H23N5O — CID 136673471

IUPAC4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1cccc(CN2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)n1
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-17(23-15)14-26-11-8-16(9-12-26)19-13-20(27)25-21(24-19)18-7-2-3-10-22-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,24,25,27)
InChIKeyXUBVPHPIFIGYIJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.91
Rot. Bonds4

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

4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136673471) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136673471
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
SMILESCc1cccc(CN2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)n1
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-17(23-15)14-26-11-8-16(9-12-26)19-13-20(27)25-21(24-19)18-7-2-3-10-22-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,24,25,27)
InChIKeyXUBVPHPIFIGYIJ-UHFFFAOYSA-N
XLogP2.91
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765591
2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136765588
2-pyridin-2-yl-4-[1-(pyridin-2-ylmethyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136765795
2-methyl-4-[1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816521
1,3-dimethyl-5-[[4-(6-oxo-2-pyridin-2-yl-1H-pyrimidin-4-yl)piperidin-1-yl]methyl]benzimidazol-2-one
CID 136764000
4-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682355
2-methyl-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706475
2-methyl-4-[(3R)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706476
4-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673578
2-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132625
4-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858527
4-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136673564

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one (CID 136673471) is 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is Cc1cccc(CN2CCC(c3cc(=O)[nH]c(-c4ccccn4)n3)CC2)n1.
What is the InChIKey of 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is XUBVPHPIFIGYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-5-4-6-17(23-15)14-26-11-8-16(9-12-26)19-13-20(27)25-21(24-19)18-7-2-3-10-22-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,24,25,27).
What are the key properties of 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one?
4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 361.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136673471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).