4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide

C15H18N4O3S — CID 136997270

IUPAC4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC(CC)CO)cc[nH]c1=O
InChIInChI=1S/C15H18N4O3S/c1-2-9(6-20)19-10-3-4-18-15(22)12(10)13(16)8-5-11(14(17)21)23-7-8/h3-5,7,9,16,20H,2,6H2,1H3,(H2,17,21)(H2,18,19,22)/b16-13+
InChIKeyHQWWTEXFHHPCQR-DTQAZKPQSA-N
MW334.40 g/mol
LogP1.13
Rot. Bonds7

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

4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (PubChem CID 136997270) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
PubChem CID136997270
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC(CC)CO)cc[nH]c1=O
InChIInChI=1S/C15H18N4O3S/c1-2-9(6-20)19-10-3-4-18-15(22)12(10)13(16)8-5-11(14(17)21)23-7-8/h3-5,7,9,16,20H,2,6H2,1H3,(H2,17,21)(H2,18,19,22)/b16-13+
InChIKeyHQWWTEXFHHPCQR-DTQAZKPQSA-N
XLogP1.13
TPSA132.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (CID 136997270) is 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is [H]/N=C(\c1csc(C(N)=O)c1)c1c(NC(CC)CO)cc[nH]c1=O.
What is the InChIKey of 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The InChIKey is HQWWTEXFHHPCQR-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-2-9(6-20)19-10-3-4-18-15(22)12(10)13(16)8-5-11(14(17)21)23-7-8/h3-5,7,9,16,20H,2,6H2,1H3,(H2,17,21)(H2,18,19,22)/b16-13+.
What are the key properties of 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.13, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxybutan-2-ylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is sourced from PubChem (CID 136997270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).