N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide

C11H9Cl2N3OS — CID 107959426

IUPACN-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)sc2Cl)ncc1N
InChIInChI=1S/C11H9Cl2N3OS/c1-5-2-9(15-4-7(5)14)16-11(17)6-3-8(12)18-10(6)13/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeySSZANSODANGWCX-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.59
Rot. Bonds2

About N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide

N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 107959426) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID107959426
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
SMILESCc1cc(NC(=O)c2cc(Cl)sc2Cl)ncc1N
InChIInChI=1S/C11H9Cl2N3OS/c1-5-2-9(15-4-7(5)14)16-11(17)6-3-8(12)18-10(6)13/h2-4H,14H2,1H3,(H,15,16,17)
InChIKeySSZANSODANGWCX-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-4-methyl-2-pyridinyl)-5-chloro-2-fluorobenzamide
CID 61292772
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 61292956
N-(5-amino-4-methyl-2-pyridinyl)-4,5-dibromothiophene-2-carboxamide
CID 80537120
N-(5-amino-4-methyl-2-pyridinyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61292593
N-(5-amino-4-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 61293151
N-(4-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 102674220
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113228330
N-(5-amino-4-methyl-2-pyridinyl)-2-fluoro-4-hydroxybenzamide
CID 107674528
N-(4-amino-1H-pyrazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
CID 107959506
N-(5-amino-4-methyl-2-pyridinyl)-2-bromo-5-methoxybenzamide
CID 61292962

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide (CID 107959426) is N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide is Cc1cc(NC(=O)c2cc(Cl)sc2Cl)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is SSZANSODANGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c1-5-2-9(15-4-7(5)14)16-11(17)6-3-8(12)18-10(6)13/h2-4H,14H2,1H3,(H,15,16,17).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide?
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 302.19 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 107959426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).