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

C18H22N4O3S — CID 136997298

IUPAC4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(=O)NCCO)c1)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C18H22N4O3S/c19-16(11-9-14(26-10-11)17(24)21-7-8-23)15-13(5-6-20-18(15)25)22-12-3-1-2-4-12/h5-6,9-10,12,19,23H,1-4,7-8H2,(H,21,24)(H2,20,22,25)/b19-16+
InChIKeyZUSIEHMACMRTGK-KNTRCKAVSA-N
MW374.47 g/mol
LogP1.93
Rot. Bonds7

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

4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 136997298) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID136997298
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(=O)NCCO)c1)c1c(NC2CCCC2)cc[nH]c1=O
InChIInChI=1S/C18H22N4O3S/c19-16(11-9-14(26-10-11)17(24)21-7-8-23)15-13(5-6-20-18(15)25)22-12-3-1-2-4-12/h5-6,9-10,12,19,23H,1-4,7-8H2,(H,21,24)(H2,20,22,25)/b19-16+
InChIKeyZUSIEHMACMRTGK-KNTRCKAVSA-N
XLogP1.93
TPSA118.07 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.93
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-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 136997298) is 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide is [H]/N=C(\c1csc(C(=O)NCCO)c1)c1c(NC2CCCC2)cc[nH]c1=O.
What is the InChIKey of 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is ZUSIEHMACMRTGK-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-16(11-9-14(26-10-11)17(24)21-7-8-23)15-13(5-6-20-18(15)25)22-12-3-1-2-4-12/h5-6,9-10,12,19,23H,1-4,7-8H2,(H,21,24)(H2,20,22,25)/b19-16+.
What are the key properties of 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide?
4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.93, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylamino)-2-oxo-1H-pyridine-3-carboximidoyl]-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 136997298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).