2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide

C16H19N5O3 — CID 51083821

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2cccnc2N2CCCC2)c1=O
InChIInChI=1S/C16H19N5O3/c1-19-14(23)6-10-21(16(19)24)11-13(22)18-12-5-4-7-17-15(12)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,18,22)
InChIKeyXPBNKFAHMUOVTB-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.18
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 51083821) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID51083821
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)Nc2cccnc2N2CCCC2)c1=O
InChIInChI=1S/C16H19N5O3/c1-19-14(23)6-10-21(16(19)24)11-13(22)18-12-5-4-7-17-15(12)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,18,22)
InChIKeyXPBNKFAHMUOVTB-UHFFFAOYSA-N
XLogP0.18
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide with MolForge

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Related Compounds

N-[3-(difluoromethoxy)-2-pyridinyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 56824296
4-hydroxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 79200601
N-(2-hydroxy-5-methylphenyl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60562073
4-amino-N-(2-pyrrolidin-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 60847644
2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-yl-3-pyridinyl)acetamide
CID 55979042
3-amino-2,2-dimethyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 115426176
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 39890263
N-(2-ethylquinolin-4-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 75518287
2-methoxy-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 47308006
2-(azetidin-3-ylidene)-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 116675182
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 32568404

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 51083821) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide is Cn1c(=O)ccn(CC(=O)Nc2cccnc2N2CCCC2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is XPBNKFAHMUOVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-19-14(23)6-10-21(16(19)24)11-13(22)18-12-5-4-7-17-15(12)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11H2,1H3,(H,18,22).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 51083821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).