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

C18H22N4O2 — CID 3249112

IUPACN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC(C)C)n12
InChIInChI=1S/C18H22N4O2/c1-12(2)8-9-19-17(24)11-21-15-7-5-4-6-14(15)18-20-16(23)10-13(3)22(18)21/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,24)
InChIKeyNGACZZXGULNLDU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.12
Rot. Bonds5

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

N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (PubChem CID 3249112) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
PubChem CID3249112
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC(C)C)n12
InChIInChI=1S/C18H22N4O2/c1-12(2)8-9-19-17(24)11-21-15-7-5-4-6-14(15)18-20-16(23)10-13(3)22(18)21/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,24)
InChIKeyNGACZZXGULNLDU-UHFFFAOYSA-N
XLogP2.12
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.12
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)acetamide?
The IUPAC name of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide (CID 3249112) is N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCC(C)C)n12.
What is the InChIKey of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
The InChIKey is NGACZZXGULNLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(2)8-9-19-17(24)11-21-15-7-5-4-6-14(15)18-20-16(23)10-13(3)22(18)21/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,24).
What are the key properties of N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide?
N-(3-methylbutyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.12, 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)acetamide is sourced from PubChem (CID 3249112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).