2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide

C19H30N6O2 — CID 170078047

IUPAC2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
SMILESC/N=C/c1c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c(=O)c1N
InChIInChI=1S/C19H30N6O2/c1-12(2)18-15(9-21-3)17(20)19(27)25(23-18)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14H,4-8,10-11,20H2,1-3H3,(H,22,26)/b21-9+
InChIKeyMRWKOKQSESYWAV-ZVBGSRNCSA-N
MW374.49 g/mol
LogP0.74
Rot. Bonds6

About 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide

2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide (PubChem CID 170078047) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
PubChem CID170078047
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide
SMILESC/N=C/c1c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c(=O)c1N
InChIInChI=1S/C19H30N6O2/c1-12(2)18-15(9-21-3)17(20)19(27)25(23-18)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14H,4-8,10-11,20H2,1-3H3,(H,22,26)/b21-9+
InChIKeyMRWKOKQSESYWAV-ZVBGSRNCSA-N
XLogP0.74
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578
2-[4-[(E)-2-chloroprop-1-enyl]-5-methyl-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-1-ethylpiperidin-3-yl]acetamide
CID 166975971
N-[(8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-2-(2-ethyl-4-oxo-7-propan-2-ylpyrazolo[3,4-d]pyridazin-5-yl)acetamide
CID 172556937
N-(1-ethylpiperidin-3-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363968
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-[(2S)-4-cyclobutyl-1-methylpiperazin-2-yl]acetamide
CID 170370156
2-(azepan-1-yl)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 25373995
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 170370128
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
2-[4-amino-5-(cyclopropylmethyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(5-fluoropyrimidin-4-yl)acetamide
CID 170077984
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-cyclopentyl-2-(7-methyl-4-oxo-2-propan-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 71840085

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
The IUPAC name of 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide (CID 170078047) is 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide.
What is the SMILES notation for 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
The canonical SMILES for 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide is C/N=C/c1c(C(C)C)nn(CC(=O)NC2CCCN(C3CC3)C2)c(=O)c1N.
What is the InChIKey of 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
The InChIKey is MRWKOKQSESYWAV-ZVBGSRNCSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-12(2)18-15(9-21-3)17(20)19(27)25(23-18)11-16(26)22-13-5-4-8-24(10-13)14-6-7-14/h9,12-14H,4-8,10-11,20H2,1-3H3,(H,22,26)/b21-9+.
What are the key properties of 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide?
2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide has a molecular weight of 374.49 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(methyliminomethyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(1-cyclopropylpiperidin-3-yl)acetamide is sourced from PubChem (CID 170078047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).