N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide

C16H23N5O2 — CID 95601751

IUPACN-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
SMILESC=CC[C@@H](NC(C)=O)C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H23N5O2/c1-3-5-14(18-12(2)22)16(23)21-10-7-13(8-11-21)19-15-6-4-9-17-20-15/h3-4,6,9,13-14H,1,5,7-8,10-11H2,2H3,(H,18,22)(H,19,20)/t14-/m1/s1
InChIKeyRHMUCUGSXIRWJG-CQSZACIVSA-N
MW317.39 g/mol
LogP0.96
Rot. Bonds6

About N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide

N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide (PubChem CID 95601751) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
PubChem CID95601751
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide
SMILESC=CC[C@@H](NC(C)=O)C(=O)N1CCC(Nc2cccnn2)CC1
InChIInChI=1S/C16H23N5O2/c1-3-5-14(18-12(2)22)16(23)21-10-7-13(8-11-21)19-15-6-4-9-17-20-15/h3-4,6,9,13-14H,1,5,7-8,10-11H2,2H3,(H,18,22)(H,19,20)/t14-/m1/s1
InChIKeyRHMUCUGSXIRWJG-CQSZACIVSA-N
XLogP0.96
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 120872870
(2S)-2-pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95601742
3-amino-2-methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503792
(2S)-2-(2,5-dimethylpyrrol-1-yl)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 95331691
4-(methylamino)-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]butan-1-one
CID 119879728
(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95601738
N-[(2S)-1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-(pyridazin-3-ylamino)piperidine-1-carboxamide
CID 124619861
1-[3-(pyridazin-3-ylamino)azetidin-1-yl]ethanone
CID 144655820
piperidin-3-yl-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 119879720
[4-(pyridazin-3-ylamino)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119879739
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
(4R)-1-(cyclopropylmethyl)-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95312317

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide (CID 95601751) is N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide is C=CC[C@@H](NC(C)=O)C(=O)N1CCC(Nc2cccnn2)CC1.
What is the InChIKey of N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide?
The InChIKey is RHMUCUGSXIRWJG-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-3-5-14(18-12(2)22)16(23)21-10-7-13(8-11-21)19-15-6-4-9-17-20-15/h3-4,6,9,13-14H,1,5,7-8,10-11H2,2H3,(H,18,22)(H,19,20)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide?
N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]pent-4-en-2-yl]acetamide is sourced from PubChem (CID 95601751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).