N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide

C15H17N3O2S — CID 1449519

IUPACN-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)C
InChIInChI=1S/C15H17N3O2S/c1-9(2)14(19)17-11-8-16-13(7-10(11)3)18-15(20)12-5-4-6-21-12/h4-9H,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyJNNNDWJUKPCYTJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.30
Rot. Bonds4

About N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide

N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 1449519) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide
PubChem CID1449519
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)C
InChIInChI=1S/C15H17N3O2S/c1-9(2)14(19)17-11-8-16-13(7-10(11)3)18-15(20)12-5-4-6-21-12/h4-9H,1-3H3,(H,17,19)(H,16,18,20)
InChIKeyJNNNDWJUKPCYTJ-UHFFFAOYSA-N
XLogP3.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide (CID 1449519) is N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)C.
What is the InChIKey of N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is JNNNDWJUKPCYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9(2)14(19)17-11-8-16-13(7-10(11)3)18-15(20)12-5-4-6-21-12/h4-9H,1-3H3,(H,17,19)(H,16,18,20).
What are the key properties of N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide?
N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(2-methylpropanoylamino)-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 1449519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).