[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

C17H21N5O2 — CID 72837169

IUPAC[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCCNc1ncc(C(=O)N2CCC(O)(c3cccnc3)CC2)cn1
InChIInChI=1S/C17H21N5O2/c1-2-19-16-20-10-13(11-21-16)15(23)22-8-5-17(24,6-9-22)14-4-3-7-18-12-14/h3-4,7,10-12,24H,2,5-6,8-9H2,1H3,(H,19,20,21)
InChIKeyHRWRQXRJAGIDRX-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.43
Rot. Bonds4

About [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone

[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 72837169) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID72837169
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCCNc1ncc(C(=O)N2CCC(O)(c3cccnc3)CC2)cn1
InChIInChI=1S/C17H21N5O2/c1-2-19-16-20-10-13(11-21-16)15(23)22-8-5-17(24,6-9-22)14-4-3-7-18-12-14/h3-4,7,10-12,24H,2,5-6,8-9H2,1H3,(H,19,20,21)
InChIKeyHRWRQXRJAGIDRX-UHFFFAOYSA-N
XLogP1.43
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethoxyphenyl)-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 16668120
[2-(ethylamino)pyrimidin-5-yl]-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70787566
9-[2-(ethylamino)pyrimidine-5-carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56739068
[2-(ethylamino)pyrimidin-5-yl]-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 72880906
[2-(ethylamino)pyrimidin-5-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56898987
[3-ethyl-3-(hydroxymethyl)pyrrolidin-1-yl]-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
CID 139580306
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
1-(2-amino-5-ethylpyrimidin-4-yl)-4-pyridin-3-ylpiperidin-4-ol
CID 72879539
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone (CID 72837169) is [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is CCNc1ncc(C(=O)N2CCC(O)(c3cccnc3)CC2)cn1.
What is the InChIKey of [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is HRWRQXRJAGIDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-19-16-20-10-13(11-21-16)15(23)22-8-5-17(24,6-9-22)14-4-3-7-18-12-14/h3-4,7,10-12,24H,2,5-6,8-9H2,1H3,(H,19,20,21).
What are the key properties of [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone?
[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 327.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 72837169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).