4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile

C16H16N4OS — CID 136997255

IUPAC4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile
SMILES[H]/N=C(\c1csc(C#N)c1)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C16H16N4OS/c17-8-12-7-10(9-22-12)15(18)14-13(5-6-19-16(14)21)20-11-3-1-2-4-11/h5-7,9,11,18H,1-4H2,(H2,19,20,21)/b18-15+
InChIKeyONOBFRPJRLJRBU-OBGWFSINSA-N
MW312.40 g/mol
LogP3.08
Rot. Bonds4

About 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile

4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile (PubChem CID 136997255) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile
PubChem CID136997255
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile
SMILES[H]/N=C(\c1csc(C#N)c1)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C16H16N4OS/c17-8-12-7-10(9-22-12)15(18)14-13(5-6-19-16(14)21)20-11-3-1-2-4-11/h5-7,9,11,18H,1-4H2,(H2,19,20,21)/b18-15+
InChIKeyONOBFRPJRLJRBU-OBGWFSINSA-N
XLogP3.08
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
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-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile?
The IUPAC name of 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile (CID 136997255) is 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile.
What is the SMILES notation for 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile?
The canonical SMILES for 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile is [H]/N=C(\c1csc(C#N)c1)c1c(NC2CCCC2)cc[nH]c1=O.
What is the InChIKey of 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile?
The InChIKey is ONOBFRPJRLJRBU-OBGWFSINSA-N. The full InChI is InChI=1S/C16H16N4OS/c17-8-12-7-10(9-22-12)15(18)14-13(5-6-19-16(14)21)20-11-3-1-2-4-11/h5-7,9,11,18H,1-4H2,(H2,19,20,21)/b18-15+.
What are the key properties of 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile?
4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile has a molecular weight of 312.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carbonitrile is sourced from PubChem (CID 136997255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).