[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

C23H25N5O — CID 110218333

IUPAC[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCN(C)c1ncc(-c2ccncc2)c(C2CCCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C23H25N5O/c1-27(2)23-25-16-19(17-11-13-24-14-12-17)21(26-23)20-10-6-7-15-28(20)22(29)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20H,6-7,10,15H2,1-2H3
InChIKeyCVAHQSKQXQEEBD-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.97
Rot. Bonds4

About [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone

[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (PubChem CID 110218333) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
PubChem CID110218333
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
SMILESCN(C)c1ncc(-c2ccncc2)c(C2CCCCN2C(=O)c2ccccc2)n1
InChIInChI=1S/C23H25N5O/c1-27(2)23-25-16-19(17-11-13-24-14-12-17)21(26-23)20-10-6-7-15-28(20)22(29)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20H,6-7,10,15H2,1-2H3
InChIKeyCVAHQSKQXQEEBD-UHFFFAOYSA-N
XLogP3.97
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-[4-(ethoxymethyl)phenyl]methanone
CID 92593179
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 110218342
1-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110218261
[(2R)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 92554449
3-[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 92602626
1-[3-[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 110218350
[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 95802256
4-[2-(dimethylamino)-4-[(2R)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]benzamide
CID 92616119
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 155983127
1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 92607197
2-(3-chlorophenyl)-1-[(2R)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95802254
[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110218379

Frequently Asked Questions

What is the IUPAC name of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone (CID 110218333) is [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is CN(C)c1ncc(-c2ccncc2)c(C2CCCCN2C(=O)c2ccccc2)n1.
What is the InChIKey of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
The InChIKey is CVAHQSKQXQEEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27(2)23-25-16-19(17-11-13-24-14-12-17)21(26-23)20-10-6-7-15-28(20)22(29)18-8-4-3-5-9-18/h3-5,8-9,11-14,16,20H,6-7,10,15H2,1-2H3.
What are the key properties of [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone?
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone has a molecular weight of 387.49 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110218333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).