N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

C17H25N3O2 — CID 122279060

IUPACN-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-12(17(22)18-11-13-5-3-2-4-6-13)20-16(21)10-9-15(19-20)14-7-8-14/h9-10,12-14H,2-8,11H2,1H3,(H,18,22)
InChIKeyVNZBTUYQTFFXJW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.38
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide

N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 122279060) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
PubChem CID122279060
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
SMILESCC(C(=O)NCC1CCCCC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H25N3O2/c1-12(17(22)18-11-13-5-3-2-4-6-13)20-16(21)10-9-15(19-20)14-7-8-14/h9-10,12-14H,2-8,11H2,1H3,(H,18,22)
InChIKeyVNZBTUYQTFFXJW-UHFFFAOYSA-N
XLogP2.38
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 122278741
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]propanamide
CID 122278956
N-[(2-chlorophenyl)methyl]-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122162435
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 122246447
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]-6-cyclopropylpyridazin-3-one
CID 122278751
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 122278869
N-(4-bromophenyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide
CID 122278854
6-cyclopropyl-2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
CID 122278749
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]propanamide
CID 122279117
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 122278984
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methyl-3-pyridinyl)propanamide
CID 122279178

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide (CID 122279060) is N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is CC(C(=O)NCC1CCCCC1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is VNZBTUYQTFFXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(17(22)18-11-13-5-3-2-4-6-13)20-16(21)10-9-15(19-20)14-7-8-14/h9-10,12-14H,2-8,11H2,1H3,(H,18,22).
What are the key properties of N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide?
N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3-cyclopropyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 122279060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).