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

C18H22N4O3 — CID 121120402

IUPACN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2cnc(C3CCCC3)cc2=O)c1=O
InChIInChI=1S/C18H22N4O3/c1-21-9-4-7-14(18(21)25)17(24)19-8-10-22-12-20-15(11-16(22)23)13-5-2-3-6-13/h4,7,9,11-13H,2-3,5-6,8,10H2,1H3,(H,19,24)
InChIKeyJKEMKUJFOKSPFR-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.03
Rot. Bonds5

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

N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 121120402) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID121120402
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide
SMILESCn1cccc(C(=O)NCCn2cnc(C3CCCC3)cc2=O)c1=O
InChIInChI=1S/C18H22N4O3/c1-21-9-4-7-14(18(21)25)17(24)19-8-10-22-12-20-15(11-16(22)23)13-5-2-3-6-13/h4,7,9,11-13H,2-3,5-6,8,10H2,1H3,(H,19,24)
InChIKeyJKEMKUJFOKSPFR-UHFFFAOYSA-N
XLogP1.03
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide (CID 121120402) is N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is Cn1cccc(C(=O)NCCn2cnc(C3CCCC3)cc2=O)c1=O.
What is the InChIKey of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is JKEMKUJFOKSPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-21-9-4-7-14(18(21)25)17(24)19-8-10-22-12-20-15(11-16(22)23)13-5-2-3-6-13/h4,7,9,11-13H,2-3,5-6,8,10H2,1H3,(H,19,24).
What are the key properties of N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide?
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 121120402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).