N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide

C17H16N4O2 — CID 167990615

IUPACN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide
SMILESCCc1cc(=O)[nH]c(NC(=O)c2c(C)ccc3cnccc23)n1
InChIInChI=1S/C17H16N4O2/c1-3-12-8-14(22)20-17(19-12)21-16(23)15-10(2)4-5-11-9-18-7-6-13(11)15/h4-9H,3H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYLZPPOVLRIPDPF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.44
Rot. Bonds3

About N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide

N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide (PubChem CID 167990615) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide
PubChem CID167990615
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide
SMILESCCc1cc(=O)[nH]c(NC(=O)c2c(C)ccc3cnccc23)n1
InChIInChI=1S/C17H16N4O2/c1-3-12-8-14(22)20-17(19-12)21-16(23)15-10(2)4-5-11-9-18-7-6-13(11)15/h4-9H,3H2,1-2H3,(H2,19,20,21,22,23)
InChIKeyYLZPPOVLRIPDPF-UHFFFAOYSA-N
XLogP2.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide?
The IUPAC name of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide (CID 167990615) is N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide.
What is the SMILES notation for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide?
The canonical SMILES for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide is CCc1cc(=O)[nH]c(NC(=O)c2c(C)ccc3cnccc23)n1.
What is the InChIKey of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide?
The InChIKey is YLZPPOVLRIPDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-3-12-8-14(22)20-17(19-12)21-16(23)15-10(2)4-5-11-9-18-7-6-13(11)15/h4-9H,3H2,1-2H3,(H2,19,20,21,22,23).
What are the key properties of N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide?
N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-6-methylisoquinoline-5-carboxamide is sourced from PubChem (CID 167990615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).