N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

C15H18N4O3 — CID 121119676

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cccn(C)c2=O)cn1
InChIInChI=1S/C15H18N4O3/c1-3-11-9-13(20)19(10-17-11)8-6-16-14(21)12-5-4-7-18(2)15(12)22/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,16,21)
InChIKeyKONWMFQVYKSSIT-UHFFFAOYSA-N
MW302.33 g/mol
LogP-0.07
Rot. Bonds5

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 121119676) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID121119676
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2cccn(C)c2=O)cn1
InChIInChI=1S/C15H18N4O3/c1-3-11-9-13(20)19(10-17-11)8-6-16-14(21)12-5-4-7-18(2)15(12)22/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,16,21)
InChIKeyKONWMFQVYKSSIT-UHFFFAOYSA-N
XLogP-0.07
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 121119676) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is CCc1cc(=O)n(CCNC(=O)c2cccn(C)c2=O)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is KONWMFQVYKSSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-11-9-13(20)19(10-17-11)8-6-16-14(21)12-5-4-7-18(2)15(12)22/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,16,21).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 121119676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).