N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide

C23H31N4O2P — CID 170368578

IUPACN-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@H]2CCCN(C3CC3)C2)c(=O)cc1-c1cccc(P)c1
InChIInChI=1S/C23H31N4O2P/c1-15(2)23-20(16-5-3-7-19(30)11-16)12-22(29)27(25-23)14-21(28)24-17-6-4-10-26(13-17)18-8-9-18/h3,5,7,11-12,15,17-18H,4,6,8-10,13-14,30H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeyGHRGRYAUTHHOOW-KRWDZBQOSA-N
MW426.50 g/mol
LogP2.28
Rot. Bonds6

About N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide

N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide (PubChem CID 170368578) has the molecular formula C23H31N4O2P and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
PubChem CID170368578
Molecular FormulaC23H31N4O2P
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC NameN-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@H]2CCCN(C3CC3)C2)c(=O)cc1-c1cccc(P)c1
InChIInChI=1S/C23H31N4O2P/c1-15(2)23-20(16-5-3-7-19(30)11-16)12-22(29)27(25-23)14-21(28)24-17-6-4-10-26(13-17)18-8-9-18/h3,5,7,11-12,15,17-18H,4,6,8-10,13-14,30H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeyGHRGRYAUTHHOOW-KRWDZBQOSA-N
XLogP2.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318856
N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-[4-(3-cyclopropyl-5-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 169318895
2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
CID 170078047
2-[4-(2,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-methylcyclobutyl)acetamide
CID 170368231
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968
N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 170370128
N-(1-cyclohexylpiperidin-3-yl)-2-pyridin-3-ylacetamide
CID 118788376
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 45191724
2-(3,5-dimethylpyrazol-1-yl)-N-[(3R)-1-(6-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 124942990

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide?
The IUPAC name of N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide (CID 170368578) is N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide?
The canonical SMILES for N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide is CC(C)c1nn(CC(=O)N[C@H]2CCCN(C3CC3)C2)c(=O)cc1-c1cccc(P)c1.
What is the InChIKey of N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide?
The InChIKey is GHRGRYAUTHHOOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H31N4O2P/c1-15(2)23-20(16-5-3-7-19(30)11-16)12-22(29)27(25-23)14-21(28)24-17-6-4-10-26(13-17)18-8-9-18/h3,5,7,11-12,15,17-18H,4,6,8-10,13-14,30H2,1-2H3,(H,24,28)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide?
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide has a molecular weight of 426.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide is sourced from PubChem (CID 170368578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).