N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide

C18H24N4O2 — CID 30902992

IUPACN-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-3-22(4-2)15(12-14-8-6-5-7-9-14)13-19-18(24)16-10-11-17(23)21-20-16/h5-11,15H,3-4,12-13H2,1-2H3,(H,19,24)(H,21,23)/t15-/m1/s1
InChIKeyMTNWGGXEDKJIKO-OAHLLOKOSA-N
MW328.42 g/mol
LogP1.45
Rot. Bonds8

About N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30902992) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30902992
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1
InChIInChI=1S/C18H24N4O2/c1-3-22(4-2)15(12-14-8-6-5-7-9-14)13-19-18(24)16-10-11-17(23)21-20-16/h5-11,15H,3-4,12-13H2,1-2H3,(H,19,24)(H,21,23)/t15-/m1/s1
InChIKeyMTNWGGXEDKJIKO-OAHLLOKOSA-N
XLogP1.45
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 86984951
N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593214
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019792
3-amino-N-[2-(diethylamino)-3-phenylpropyl]pyrazine-2-carboxamide
CID 43067611
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[3-[benzyl(methyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30541088
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-3-phenylpropanamide
CID 119849948
N-[2-(diethylamino)-3-phenylpropyl]-4-methylsulfonylbenzamide
CID 43067489
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43019850
2-amino-N-[2-(diethylamino)-3-phenylpropyl]-2-methylpropanamide
CID 119849944
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30902992) is N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC)[C@@H](CNC(=O)c1ccc(=O)[nH]n1)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MTNWGGXEDKJIKO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-22(4-2)15(12-14-8-6-5-7-9-14)13-19-18(24)16-10-11-17(23)21-20-16/h5-11,15H,3-4,12-13H2,1-2H3,(H,19,24)(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(diethylamino)-3-phenylpropyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30902992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).