2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide

C17H23N5O2 — CID 137127027

IUPAC2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C17H23N5O2/c1-3-6-18-8-9-20-15(23)10-14-12(2)21-16(22-17(14)24)13-5-4-7-19-11-13/h4-5,7,11,18H,3,6,8-10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyWFMGYCCEVSZWAV-UHFFFAOYSA-N
MW329.40 g/mol
LogP0.80
Rot. Bonds8

About 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide

2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide (PubChem CID 137127027) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
PubChem CID137127027
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide
SMILESCCCNCCNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C17H23N5O2/c1-3-6-18-8-9-20-15(23)10-14-12(2)21-16(22-17(14)24)13-5-4-7-19-11-13/h4-5,7,11,18H,3,6,8-10H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyWFMGYCCEVSZWAV-UHFFFAOYSA-N
XLogP0.80
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yloxyphenyl)acetamide
CID 154806851
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[[(3R)-oxan-3-yl]methyl]acetamide
CID 136793208
N-[1-(aminomethyl)cyclopentyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137095588
4-[[2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetyl]amino]thiane-4-carboxylic acid
CID 137059031
N-[2-(aminomethyl)cyclohexyl]-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137030010
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)acetamide;dihydrochloride
CID 137086212
N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide
CID 137078585
N-(2-amino-2-ethylbutyl)-3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanamide;dihydrochloride
CID 137078584
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[(3R)-2-methylpentan-3-yl]propanamide
CID 136877410
(2R)-3-methyl-2-[3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoylamino]butanoic acid
CID 136942120
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 135965594
4-(ethylaminomethyl)-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 135978217

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide (CID 137127027) is 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide is CCCNCCNC(=O)Cc1c(C)nc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide?
The InChIKey is WFMGYCCEVSZWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-6-18-8-9-20-15(23)10-14-12(2)21-16(22-17(14)24)13-5-4-7-19-11-13/h4-5,7,11,18H,3,6,8-10H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide?
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)-N-[2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 137127027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).