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

C16H18N4O3 — CID 121120027

IUPACN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2cnc(C3CC3)cc2=O)c1=O
InChIInChI=1S/C16H18N4O3/c1-19-7-2-3-12(16(19)23)15(22)17-6-8-20-10-18-13(9-14(20)21)11-4-5-11/h2-3,7,9-11H,4-6,8H2,1H3,(H,17,22)
InChIKeyIYXVTSHLORHDPL-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.25
Rot. Bonds5

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

N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 121120027) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID121120027
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2cnc(C3CC3)cc2=O)c1=O
InChIInChI=1S/C16H18N4O3/c1-19-7-2-3-12(16(19)23)15(22)17-6-8-20-10-18-13(9-14(20)21)11-4-5-11/h2-3,7,9-11H,4-6,8H2,1H3,(H,17,22)
InChIKeyIYXVTSHLORHDPL-UHFFFAOYSA-N
XLogP0.25
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 121120027) is N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCCn2cnc(C3CC3)cc2=O)c1=O.
What is the InChIKey of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is IYXVTSHLORHDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19-7-2-3-12(16(19)23)15(22)17-6-8-20-10-18-13(9-14(20)21)11-4-5-11/h2-3,7,9-11H,4-6,8H2,1H3,(H,17,22).
What are the key properties of N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 121120027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).