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

C19H22N4O2S — CID 136997289

IUPAC4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCC2)c(C2CC2)c[nH]c1=O
InChIInChI=1S/C19H22N4O2S/c20-16(11-7-14(18(21)24)26-9-11)15-17(23-12-3-1-2-4-12)13(10-5-6-10)8-22-19(15)25/h7-10,12,20H,1-6H2,(H2,21,24)(H2,22,23,25)/b20-16+
InChIKeyUMXOCGAEDGMISY-CAPFRKAQSA-N
MW370.48 g/mol
LogP3.18
Rot. Bonds6

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

4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (PubChem CID 136997289) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
PubChem CID136997289
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCC2)c(C2CC2)c[nH]c1=O
InChIInChI=1S/C19H22N4O2S/c20-16(11-7-14(18(21)24)26-9-11)15-17(23-12-3-1-2-4-12)13(10-5-6-10)8-22-19(15)25/h7-10,12,20H,1-6H2,(H2,21,24)(H2,22,23,25)/b20-16+
InChIKeyUMXOCGAEDGMISY-CAPFRKAQSA-N
XLogP3.18
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.18
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-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (CID 136997289) is 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is [H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCC2)c(C2CC2)c[nH]c1=O.
What is the InChIKey of 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The InChIKey is UMXOCGAEDGMISY-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H22N4O2S/c20-16(11-7-14(18(21)24)26-9-11)15-17(23-12-3-1-2-4-12)13(10-5-6-10)8-22-19(15)25/h7-10,12,20H,1-6H2,(H2,21,24)(H2,22,23,25)/b20-16+.
What are the key properties of 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentylamino)-5-cyclopropyl-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is sourced from PubChem (CID 136997289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).