N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C19H24N4O2 — CID 3453492

IUPACN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NCCC(C)C)n12
InChIInChI=1S/C19H24N4O2/c1-12(2)9-10-20-19(25)14(4)23-16-8-6-5-7-15(16)18-21-17(24)11-13(3)22(18)23/h5-8,11-12,14H,9-10H2,1-4H3,(H,20,25)
InChIKeyRXAWCNCLRDGPDI-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.68
Rot. Bonds5

About N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 3453492) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID3453492
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NCCC(C)C)n12
InChIInChI=1S/C19H24N4O2/c1-12(2)9-10-20-19(25)14(4)23-16-8-6-5-7-15(16)18-21-17(24)11-13(3)22(18)23/h5-8,11-12,14H,9-10H2,1-4H3,(H,20,25)
InChIKeyRXAWCNCLRDGPDI-UHFFFAOYSA-N
XLogP2.68
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 3453492) is N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is Cc1cc(=O)nc2c3ccccc3n(C(C)C(=O)NCCC(C)C)n12.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is RXAWCNCLRDGPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(2)9-10-20-19(25)14(4)23-16-8-6-5-7-15(16)18-21-17(24)11-13(3)22(18)23/h5-8,11-12,14H,9-10H2,1-4H3,(H,20,25).
What are the key properties of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 340.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 3453492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).