5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione

C18H22N4O3 — CID 121026370

IUPAC5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCCC1CCCCN1C(=O)c1c[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C18H22N4O3/c1-2-14-8-4-6-10-21(14)16(23)15-11-20-18(25)22(17(15)24)12-13-7-3-5-9-19-13/h3,5,7,9,11,14H,2,4,6,8,10,12H2,1H3,(H,20,25)
InChIKeyHPXAOYJRSCYYPE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.38
Rot. Bonds4

About 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 121026370) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID121026370
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCCC1CCCCN1C(=O)c1c[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C18H22N4O3/c1-2-14-8-4-6-10-21(14)16(23)15-11-20-18(25)22(17(15)24)12-13-7-3-5-9-19-13/h3,5,7,9,11,14H,2,4,6,8,10,12H2,1H3,(H,20,25)
InChIKeyHPXAOYJRSCYYPE-UHFFFAOYSA-N
XLogP1.38
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-(2-ethylpiperidine-1-carbonyl)-1H-imidazol-2-one
CID 84576543
1-benzyl-3-[(2R)-2-ethylpiperidine-1-carbonyl]-1,8-naphthyridin-2-one
CID 7620050
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
4-(2-ethylpiperidine-1-carbonyl)-N-(pyridin-2-ylmethyl)benzamide
CID 109047547
3-[(2R)-2-ethylpiperidine-1-carbonyl]-1-[(4-fluorophenyl)methyl]-1,8-naphthyridin-2-one
CID 7620640
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]-1,8-naphthyridin-2-one
CID 7620373
3-[(2S)-2-ethylpiperidine-1-carbonyl]-1-methyl-1,8-naphthyridin-2-one
CID 7619297
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
N-(3-acetamidophenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026413
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one
CID 95274911
N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026401

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 121026370) is 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione is CCC1CCCCN1C(=O)c1c[nH]c(=O)n(Cc2ccccn2)c1=O.
What is the InChIKey of 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HPXAOYJRSCYYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-14-8-4-6-10-21(14)16(23)15-11-20-18(25)22(17(15)24)12-13-7-3-5-9-19-13/h3,5,7,9,11,14H,2,4,6,8,10,12H2,1H3,(H,20,25).
What are the key properties of 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 342.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidine-1-carbonyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121026370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).