N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C15H19N3O3 — CID 94022288

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)Cc2ccco2)ccc1=O
InChIInChI=1S/C15H19N3O3/c1-3-8-18-14(19)7-6-13(17-18)15(20)16-11(2)10-12-5-4-9-21-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyMBKHHCZBOZFWBV-NSHDSACASA-N
MW289.33 g/mol
LogP1.61
Rot. Bonds6

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 94022288) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID94022288
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)Cc2ccco2)ccc1=O
InChIInChI=1S/C15H19N3O3/c1-3-8-18-14(19)7-6-13(17-18)15(20)16-11(2)10-12-5-4-9-21-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,16,20)/t11-/m0/s1
InChIKeyMBKHHCZBOZFWBV-NSHDSACASA-N
XLogP1.61
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
CID 31109458
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
N-[1-(furan-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287273
N-benzyl-N-(furan-2-ylmethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 34907261
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 94022288) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)N[C@@H](C)Cc2ccco2)ccc1=O.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is MBKHHCZBOZFWBV-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-8-18-14(19)7-6-13(17-18)15(20)16-11(2)10-12-5-4-9-21-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,16,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 94022288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).