2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide

C14H13N5OS — CID 59525995

IUPAC2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide
SMILESCn1cc(-c2ccc(-c3cc(C(N)=O)c(N)s3)cn2)cn1
InChIInChI=1S/C14H13N5OS/c1-19-7-9(6-18-19)11-3-2-8(5-17-11)12-4-10(13(15)20)14(16)21-12/h2-7H,16H2,1H3,(H2,15,20)
InChIKeyNESLJZDXENLSSA-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.89
Rot. Bonds3

About 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide

2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide (PubChem CID 59525995) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide
PubChem CID59525995
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide
SMILESCn1cc(-c2ccc(-c3cc(C(N)=O)c(N)s3)cn2)cn1
InChIInChI=1S/C14H13N5OS/c1-19-7-9(6-18-19)11-3-2-8(5-17-11)12-4-10(13(15)20)14(16)21-12/h2-7H,16H2,1H3,(H2,15,20)
InChIKeyNESLJZDXENLSSA-UHFFFAOYSA-N
XLogP1.89
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide?
The IUPAC name of 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide (CID 59525995) is 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide is Cn1cc(-c2ccc(-c3cc(C(N)=O)c(N)s3)cn2)cn1.
What is the InChIKey of 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide?
The InChIKey is NESLJZDXENLSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-19-7-9(6-18-19)11-3-2-8(5-17-11)12-4-10(13(15)20)14(16)21-12/h2-7H,16H2,1H3,(H2,15,20).
What are the key properties of 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide?
2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide has a molecular weight of 299.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]thiophene-3-carboxamide is sourced from PubChem (CID 59525995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).