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

C17H20N4O2S — CID 136997291

IUPAC4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C17H20N4O2S/c18-15(10-8-13(16(19)22)24-9-10)14-12(6-7-20-17(14)23)21-11-4-2-1-3-5-11/h6-9,11,18H,1-5H2,(H2,19,22)(H2,20,21,23)/b18-15+
InChIKeyNZHUZJOJKZPMNO-OBGWFSINSA-N
MW344.44 g/mol
LogP2.70
Rot. Bonds5

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

4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (PubChem CID 136997291) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
PubChem CID136997291
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide
SMILES[H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C17H20N4O2S/c18-15(10-8-13(16(19)22)24-9-10)14-12(6-7-20-17(14)23)21-11-4-2-1-3-5-11/h6-9,11,18H,1-5H2,(H2,19,22)(H2,20,21,23)/b18-15+
InChIKeyNZHUZJOJKZPMNO-OBGWFSINSA-N
XLogP2.70
TPSA111.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.70
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-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The IUPAC name of 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide (CID 136997291) is 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The canonical SMILES for 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is [H]/N=C(\c1csc(C(N)=O)c1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
The InChIKey is NZHUZJOJKZPMNO-OBGWFSINSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-15(10-8-13(16(19)22)24-9-10)14-12(6-7-20-17(14)23)21-11-4-2-1-3-5-11/h6-9,11,18H,1-5H2,(H2,19,22)(H2,20,21,23)/b18-15+.
What are the key properties of 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide?
4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidoyl]thiophene-2-carboxamide is sourced from PubChem (CID 136997291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).