N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide

C16H20N4O2 — CID 120653747

IUPACN-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-3-17-12(2)11-18-16(22)14-9-10-15(21)20(19-14)13-7-5-4-6-8-13/h4-10,12,17H,3,11H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyKROXIBXLXHIMTC-GFCCVEGCSA-N
MW300.36 g/mol
LogP0.96
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide

N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 120653747) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID120653747
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C16H20N4O2/c1-3-17-12(2)11-18-16(22)14-9-10-15(21)20(19-14)13-7-5-4-6-8-13/h4-10,12,17H,3,11H2,1-2H3,(H,18,22)/t12-/m1/s1
InChIKeyKROXIBXLXHIMTC-GFCCVEGCSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-[(2S)-1-methoxypropan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31887874
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
N-(3-methyl-1-phenylbutyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55581751
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51949577
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
N-[(S)-(4-ethoxyphenyl)-phenylmethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 51941646

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide (CID 120653747) is N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide is CCN[C@H](C)CNC(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is KROXIBXLXHIMTC-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-17-12(2)11-18-16(22)14-9-10-15(21)20(19-14)13-7-5-4-6-8-13/h4-10,12,17H,3,11H2,1-2H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 120653747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).