4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide

C17H17N5O2S — CID 136997294

IUPAC4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCC2)c(C#N)c[nH]c1=O
InChIInChI=1S/C17H17N5O2S/c18-6-10-7-21-17(24)13(15(10)22-11-3-1-2-4-11)14(19)9-5-12(16(20)23)25-8-9/h5,7-8,11,19H,1-4H2,(H2,20,23)(H2,21,22,24)/b19-14+
InChIKeyVEHYHTCYWLWXRE-XMHGGMMESA-N
MW355.42 g/mol
LogP2.18
Rot. Bonds5

About 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide

4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (PubChem CID 136997294) has the molecular formula C17H17N5O2S and a molecular weight of 355.42 g/mol. Its IUPAC name is 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
PubChem CID136997294
Molecular FormulaC17H17N5O2S
Molecular Weight355.42 g/mol
Exact Mass355.11
IUPAC Name4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCC2)c(C#N)c[nH]c1=O
InChIInChI=1S/C17H17N5O2S/c18-6-10-7-21-17(24)13(15(10)22-11-3-1-2-4-11)14(19)9-5-12(16(20)23)25-8-9/h5,7-8,11,19H,1-4H2,(H2,20,23)(H2,21,22,24)/b19-14+
InChIKeyVEHYHTCYWLWXRE-XMHGGMMESA-N
XLogP2.18
TPSA135.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.18
H-Bond Donors ≤ 54
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-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (CID 136997294) is 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is [H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCC2)c(C#N)c[nH]c1=O.
What is the InChIKey of 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The InChIKey is VEHYHTCYWLWXRE-XMHGGMMESA-N. The full InChI is InChI=1S/C17H17N5O2S/c18-6-10-7-21-17(24)13(15(10)22-11-3-1-2-4-11)14(19)9-5-12(16(20)23)25-8-9/h5,7-8,11,19H,1-4H2,(H2,20,23)(H2,21,22,24)/b19-14+.
What are the key properties of 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyano-4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is sourced from PubChem (CID 136997294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).