N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C15H16N4O2 — CID 5087300

IUPACN-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C15H16N4O2/c1-9-8-13(20)17-14-11-6-4-5-7-12(11)19(18(9)14)10(2)15(21)16-3/h4-8,10H,1-3H3,(H,16,21)
InChIKeyUXBSQKXHEFZSIZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.26
Rot. Bonds2

About N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5087300) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5087300
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C15H16N4O2/c1-9-8-13(20)17-14-11-6-4-5-7-12(11)19(18(9)14)10(2)15(21)16-3/h4-8,10H,1-3H3,(H,16,21)
InChIKeyUXBSQKXHEFZSIZ-UHFFFAOYSA-N
XLogP1.26
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5087300) is N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is CNC(=O)C(C)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is UXBSQKXHEFZSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-8-13(20)17-14-11-6-4-5-7-12(11)19(18(9)14)10(2)15(21)16-3/h4-8,10H,1-3H3,(H,16,21).
What are the key properties of N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5087300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).