N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C16H17N3O4 — CID 135676996

IUPACN-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccc3c(c2)OCO3)c(=O)[nH]1
InChIInChI=1S/C16H17N3O4/c1-9-12(16(21)18-10(2)17-9)4-6-15(20)19-11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyKXWGMFAGJKSJNZ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.69
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135676996) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID135676996
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2ccc3c(c2)OCO3)c(=O)[nH]1
InChIInChI=1S/C16H17N3O4/c1-9-12(16(21)18-10(2)17-9)4-6-15(20)19-11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKeyKXWGMFAGJKSJNZ-UHFFFAOYSA-N
XLogP1.69
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135783257
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-fluorophenyl)propanamide
CID 135893498
N-(3-chloro-4-methylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135898089
N-(1,3-benzodioxol-5-yl)-2-[[5-(2-hydroxyethyl)-4-methyl-6-oxo-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 135713712
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331279
N-(1,3-benzodioxol-5-yl)-3-(4,6,11,13-tetramethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide
CID 6620436
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331047
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 135676927
N-(1,3-benzodioxol-5-yl)-2-[2-(4-fluorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368774

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135676996) is N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(C)c(CCC(=O)Nc2ccc3c(c2)OCO3)c(=O)[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is KXWGMFAGJKSJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-9-12(16(21)18-10(2)17-9)4-6-15(20)19-11-3-5-13-14(7-11)23-8-22-13/h3,5,7H,4,6,8H2,1-2H3,(H,19,20)(H,17,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 315.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135676996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).