N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

C17H22N4O3 — CID 50964246

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2[nH]cc(C)c(=O)c2C)c(=O)n1
InChIInChI=1S/C17H22N4O3/c1-10-8-18-14(13(4)16(10)23)9-19-15(22)5-6-21-12(3)7-11(2)20-17(21)24/h7-8H,5-6,9H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyXPJGIFXMDBOWGF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.87
Rot. Bonds5

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (PubChem CID 50964246) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
PubChem CID50964246
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCc2[nH]cc(C)c(=O)c2C)c(=O)n1
InChIInChI=1S/C17H22N4O3/c1-10-8-18-14(13(4)16(10)23)9-19-15(22)5-6-21-12(3)7-11(2)20-17(21)24/h7-8H,5-6,9H2,1-4H3,(H,18,23)(H,19,22)
InChIKeyXPJGIFXMDBOWGF-UHFFFAOYSA-N
XLogP0.87
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide (CID 50964246) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is Cc1cc(C)n(CCC(=O)NCc2[nH]cc(C)c(=O)c2C)c(=O)n1.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
The InChIKey is XPJGIFXMDBOWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-8-18-14(13(4)16(10)23)9-19-15(22)5-6-21-12(3)7-11(2)20-17(21)24/h7-8H,5-6,9H2,1-4H3,(H,18,23)(H,19,22).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 50964246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).