5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one

C19H26N4O — CID 138385555

IUPAC5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCCCc1cnc(C)nc1N1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H26N4O/c1-3-4-17-13-20-14(2)22-19(17)23-9-7-15(8-10-23)11-16-5-6-18(24)21-12-16/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,24)
InChIKeyGERLFBCWIOORQK-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.88
Rot. Bonds5

About 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one

5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one (PubChem CID 138385555) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
PubChem CID138385555
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one
SMILESCCCc1cnc(C)nc1N1CCC(Cc2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H26N4O/c1-3-4-17-13-20-14(2)22-19(17)23-9-7-15(8-10-23)11-16-5-6-18(24)21-12-16/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,24)
InChIKeyGERLFBCWIOORQK-UHFFFAOYSA-N
XLogP2.88
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

2-[(1-Methylpiperidin-4-yl)amino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one
CID 122178089
5-ethyl-2-methyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrimidin-4-amine
CID 50977220
6-[(5-Ethylpyrimidin-2-yl)amino]-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
CID 118738946
1-(Cyclopropylmethyl)-6-[(5-methylpyrimidin-2-yl)amino]-5,6,7,8-tetrahydroquinolin-2-one
CID 118738951
4-methyl-2-[2-[(2-methyl-5-propylpyrimidin-4-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 136118518
US12421210, Example 211
CID 162501580
4-(1-(2-((1-acetylpiperidin-4-yl)amino)-5-fluoropyrimidin-4-yl)piperidin-3-yl)pyridin-2(1H)-one
CID 172591775
5-(1-(2-((1-acetylpiperidin-4-yl)amino)-5-fluoropyrimidin-4-yl)piperidin-3-yl)pyridin-2(1H)-one
CID 172592633
6-{1-[(2-Methylpyrimidin-5-yl)methyl]piperidin-4-yl}-2-(piperidin-1-yl)pyrimidin-4-ol
CID 136122617
5-({1-[2-amino-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]-4-piperidinyl}methyl)-2(1H)-pyridinone
CID 138384300
1-[(3R)-3-[[[2-(5-chloro-7a-methyl-7-methylidene-1H-indol-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]-3-methylbut-2-en-1-one
CID 90391932
1-[(3R)-3-[[[2-(7,7a-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]methyl]piperidin-1-yl]ethanone
CID 122518605

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one (CID 138385555) is 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one is CCCc1cnc(C)nc1N1CCC(Cc2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
The InChIKey is GERLFBCWIOORQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-4-17-13-20-14(2)22-19(17)23-9-7-15(8-10-23)11-16-5-6-18(24)21-12-16/h5-6,12-13,15H,3-4,7-11H2,1-2H3,(H,21,24).
What are the key properties of 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one?
5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one has a molecular weight of 326.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methyl-5-propylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 138385555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).