N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide

C17H26N6O — CID 36731543

IUPACN-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1CCN(c2nnc(C)c(C)c2C#N)CC1
InChIInChI=1S/C17H26N6O/c1-5-12(2)19-16(24)11-22-6-8-23(9-7-22)17-15(10-18)13(3)14(4)20-21-17/h12H,5-9,11H2,1-4H3,(H,19,24)/t12-/m0/s1
InChIKeyXBKQWLITCUYFNI-LBPRGKRZSA-N
MW330.44 g/mol
LogP1.00
Rot. Bonds5

About N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide

N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide (PubChem CID 36731543) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
PubChem CID36731543
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC NameN-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
SMILESCC[C@H](C)NC(=O)CN1CCN(c2nnc(C)c(C)c2C#N)CC1
InChIInChI=1S/C17H26N6O/c1-5-12(2)19-16(24)11-22-6-8-23(9-7-22)17-15(10-18)13(3)14(4)20-21-17/h12H,5-9,11H2,1-4H3,(H,19,24)/t12-/m0/s1
InChIKeyXBKQWLITCUYFNI-LBPRGKRZSA-N
XLogP1.00
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 36731540
(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489772
5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279892
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
ethyl 4-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 46571594
5,6-dimethyl-3-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyridazine-4-carbonitrile
CID 56799937
3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 133279897
2-[4-(4-cyano-5,6-diethylpyridazin-3-yl)piperazin-1-yl]-N-cyclopropylacetamide
CID 133373077
5,6-dimethyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535401
N-butan-2-yl-2-[4-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133306197
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279903

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide (CID 36731543) is N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide is CC[C@H](C)NC(=O)CN1CCN(c2nnc(C)c(C)c2C#N)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
The InChIKey is XBKQWLITCUYFNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26N6O/c1-5-12(2)19-16(24)11-22-6-8-23(9-7-22)17-15(10-18)13(3)14(4)20-21-17/h12H,5-9,11H2,1-4H3,(H,19,24)/t12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide?
N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide has a molecular weight of 330.44 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 36731543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).