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

C16H19N3O2S — CID 1449124

IUPACN-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)(C)C
InChIInChI=1S/C16H19N3O2S/c1-10-8-13(19-14(20)12-6-5-7-22-12)17-9-11(10)18-15(21)16(2,3)4/h5-9H,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyHLCRRANQCYZSCT-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.69
Rot. Bonds3

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

N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 1449124) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide
PubChem CID1449124
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)(C)C
InChIInChI=1S/C16H19N3O2S/c1-10-8-13(19-14(20)12-6-5-7-22-12)17-9-11(10)18-15(21)16(2,3)4/h5-9H,1-4H3,(H,18,21)(H,17,19,20)
InChIKeyHLCRRANQCYZSCT-UHFFFAOYSA-N
XLogP3.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide (CID 1449124) is N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)(C)C.
What is the InChIKey of N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is HLCRRANQCYZSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-8-13(19-14(20)12-6-5-7-22-12)17-9-11(10)18-15(21)16(2,3)4/h5-9H,1-4H3,(H,18,21)(H,17,19,20).
What are the key properties of N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide?
N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropanoylamino)-4-methyl-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 1449124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).