(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide

C15H22N4O3 — CID 99840147

IUPAC(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide
SMILESC[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C15H22N4O3/c1-10(15(22)17-12-7-8-13(20)19-18-12)16-14(21)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,21)(H,19,20)(H,17,18,22)/t10-/m1/s1
InChIKeyOAJCVVRHHOEZEK-SNVBAGLBSA-N
MW306.37 g/mol
LogP1.18
Rot. Bonds5

About (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide

(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide (PubChem CID 99840147) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide
PubChem CID99840147
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide
SMILESC[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C15H22N4O3/c1-10(15(22)17-12-7-8-13(20)19-18-12)16-14(21)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,21)(H,19,20)(H,17,18,22)/t10-/m1/s1
InChIKeyOAJCVVRHHOEZEK-SNVBAGLBSA-N
XLogP1.18
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide?
The IUPAC name of (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide (CID 99840147) is (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide is C[C@@H](NC(=O)CC1CCCCC1)C(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide?
The InChIKey is OAJCVVRHHOEZEK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(15(22)17-12-7-8-13(20)19-18-12)16-14(21)9-11-5-3-2-4-6-11/h7-8,10-11H,2-6,9H2,1H3,(H,16,21)(H,19,20)(H,17,18,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide?
(2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide has a molecular weight of 306.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclohexylacetyl)amino]-N-(6-oxo-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 99840147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).