6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide

C14H17N3O2S — CID 31109458

IUPAC6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)c2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O2S/c1-3-8-17-13(18)7-6-11(16-17)14(19)15-10(2)12-5-4-9-20-12/h4-7,9-10H,3,8H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyCTNSCRXSZAMKEI-JTQLQIEISA-N
MW291.38 g/mol
LogP2.21
Rot. Bonds5

About 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide

6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide (PubChem CID 31109458) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
PubChem CID31109458
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)N[C@@H](C)c2cccs2)ccc1=O
InChIInChI=1S/C14H17N3O2S/c1-3-8-17-13(18)7-6-11(16-17)14(19)15-10(2)12-5-4-9-20-12/h4-7,9-10H,3,8H2,1-2H3,(H,15,19)/t10-/m0/s1
InChIKeyCTNSCRXSZAMKEI-JTQLQIEISA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-oxo-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]pyridazine-3-carboxamide
CID 55416398
(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-hydroxy-3-methylbutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 79253183
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
N-[1-(4-cyanophenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 51077267
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891
N-(3-cyanothiophen-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730517
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide (CID 31109458) is 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide is CCCn1nc(C(=O)N[C@@H](C)c2cccs2)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide?
The InChIKey is CTNSCRXSZAMKEI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-8-17-13(18)7-6-11(16-17)14(19)15-10(2)12-5-4-9-20-12/h4-7,9-10H,3,8H2,1-2H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide?
6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-[(1S)-1-thiophen-2-ylethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 31109458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).