N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide

C12H13N3OS — CID 61292956

IUPACN-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(N)cn2)s1
InChIInChI=1S/C12H13N3OS/c1-7-5-11(14-6-9(7)13)15-12(16)10-4-3-8(2)17-10/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyKMKWVPPZOLTKLF-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.59
Rot. Bonds2

About N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide

N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide (PubChem CID 61292956) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
PubChem CID61292956
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cc(C)c(N)cn2)s1
InChIInChI=1S/C12H13N3OS/c1-7-5-11(14-6-9(7)13)15-12(16)10-4-3-8(2)17-10/h3-6H,13H2,1-2H3,(H,14,15,16)
InChIKeyKMKWVPPZOLTKLF-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide (CID 61292956) is N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C)c(N)cn2)s1.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide?
The InChIKey is KMKWVPPZOLTKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-7-5-11(14-6-9(7)13)15-12(16)10-4-3-8(2)17-10/h3-6H,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide?
N-(5-amino-4-methyl-2-pyridinyl)-5-methylthiophene-2-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 2.59, 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)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61292956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).