N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide

C17H20N4O2 — CID 95059156

IUPACN-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C17H20N4O2/c1-4-11(2)19-15(22)10-21-14-8-6-5-7-12(14)13-9-18-20(3)17(23)16(13)21/h5-9,11H,4,10H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyYQHGQPLGGXZSFN-NSHDSACASA-N
MW312.37 g/mol
LogP1.80
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide

N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide (PubChem CID 95059156) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
PubChem CID95059156
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21
InChIInChI=1S/C17H20N4O2/c1-4-11(2)19-15(22)10-21-14-8-6-5-7-12(14)13-9-18-20(3)17(23)16(13)21/h5-9,11H,4,10H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyYQHGQPLGGXZSFN-NSHDSACASA-N
XLogP1.80
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892227
N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043934
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53043926
N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054997
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054967
N-[(2R)-butan-2-yl]-2-(2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 51696247
N-(3-ethoxypropyl)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043949
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 53043961
N-[1-(furan-2-yl)propan-2-yl]-4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)butanamide
CID 53024441
5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53043907
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 53054993
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide (CID 95059156) is N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide is CC[C@H](C)NC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
The InChIKey is YQHGQPLGGXZSFN-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-11(2)19-15(22)10-21-14-8-6-5-7-12(14)13-9-18-20(3)17(23)16(13)21/h5-9,11H,4,10H2,1-3H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide is sourced from PubChem (CID 95059156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).