4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide

C15H18N4O2S — CID 136949884

IUPAC4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC(C)(C)C)cc[nH]c1=O
InChIInChI=1S/C15H18N4O2S/c1-15(2,3)19-9-4-5-18-14(21)11(9)12(16)8-6-10(13(17)20)22-7-8/h4-7,16H,1-3H3,(H2,17,20)(H2,18,19,21)/b16-12+
InChIKeyYXINZNAKNJQEIW-FOWTUZBSSA-N
MW318.40 g/mol
LogP2.16
Rot. Bonds4

About 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide

4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (PubChem CID 136949884) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
PubChem CID136949884
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC(C)(C)C)cc[nH]c1=O
InChIInChI=1S/C15H18N4O2S/c1-15(2,3)19-9-4-5-18-14(21)11(9)12(16)8-6-10(13(17)20)22-7-8/h4-7,16H,1-3H3,(H2,17,20)(H2,18,19,21)/b16-12+
InChIKeyYXINZNAKNJQEIW-FOWTUZBSSA-N
XLogP2.16
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (CID 136949884) is 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is [H]/N=C(\c1csc(C(N)=O)c1)c1c(NC(C)(C)C)cc[nH]c1=O.
What is the InChIKey of 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The InChIKey is YXINZNAKNJQEIW-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-15(2,3)19-9-4-5-18-14(21)11(9)12(16)8-6-10(13(17)20)22-7-8/h4-7,16H,1-3H3,(H2,17,20)(H2,18,19,21)/b16-12+.
What are the key properties of 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tert-butylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is sourced from PubChem (CID 136949884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).