N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide

C13H15ClN4OS — CID 62179430

IUPACN-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C13H15ClN4OS/c1-3-15-12-7-5-10(16-17-12)13(19)18(2)8-9-4-6-11(14)20-9/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyVHDNAKBLYJGDFO-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.90
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide (PubChem CID 62179430) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
PubChem CID62179430
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide
SMILESCCNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)nn1
InChIInChI=1S/C13H15ClN4OS/c1-3-15-12-7-5-10(16-17-12)13(19)18(2)8-9-4-6-11(14)20-9/h4-7H,3,8H2,1-2H3,(H,15,17)
InChIKeyVHDNAKBLYJGDFO-UHFFFAOYSA-N
XLogP2.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80615833
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62179610
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-1-methylurea
CID 47107929
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615665
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-4-(ethylsulfamoyl)-N-methylbenzamide
CID 9107610
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-4-(propylamino)benzamide
CID 62179777
N-[(5-chlorothiophen-2-yl)methyl]-N-methylbenzamide
CID 60646136
6-(ethylamino)-N,N-dipropylpyridazine-3-carboxamide
CID 62165114
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dihydroxy-N-methylbenzamide
CID 114344048
N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-ynamide
CID 130639217
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide (CID 62179430) is N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide is CCNc1ccc(C(=O)N(C)Cc2ccc(Cl)s2)nn1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide?
The InChIKey is VHDNAKBLYJGDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c1-3-15-12-7-5-10(16-17-12)13(19)18(2)8-9-4-6-11(14)20-9/h4-7H,3,8H2,1-2H3,(H,15,17).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-6-(ethylamino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 62179430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).