4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one

C16H18N4O2 — CID 136816540

IUPAC4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C2CCCN2C(=O)c2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-2-12-9-14(21)19-15(18-12)13-6-4-8-20(13)16(22)11-5-3-7-17-10-11/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,18,19,21)
InChIKeyXVDIVIPUQWHYMF-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.70
Rot. Bonds3

About 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136816540) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136816540
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C2CCCN2C(=O)c2cccnc2)n1
InChIInChI=1S/C16H18N4O2/c1-2-12-9-14(21)19-15(18-12)13-6-4-8-20(13)16(22)11-5-3-7-17-10-11/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,18,19,21)
InChIKeyXVDIVIPUQWHYMF-UHFFFAOYSA-N
XLogP1.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 135963138
4-ethyl-2-[(2R)-1-(3-methyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 135963671
N-[2-[(2R)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 135963675
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136734998
4-ethyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707434
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
3-[3-[(2S)-2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 135963664
7-acetyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774910
6-ethyl-5-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216122
6-propan-2-ylsulfonyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891315

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136816540) is 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(C2CCCN2C(=O)c2cccnc2)n1.
What is the InChIKey of 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is XVDIVIPUQWHYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-2-12-9-14(21)19-15(18-12)13-6-4-8-20(13)16(22)11-5-3-7-17-10-11/h3,5,7,9-10,13H,2,4,6,8H2,1H3,(H,18,19,21).
What are the key properties of 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 298.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136816540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).