4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide

C18H22N4O3S — CID 137281989

IUPAC4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCS(=O)(=O)c1ccc(/N=C(\N)c2c(NC3CCCC3)cc[nH]c2=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)14-8-6-13(7-9-14)22-17(19)16-15(10-11-20-18(16)23)21-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H2,19,22)(H2,20,21,23)
InChIKeySWDMPNZERGYQJW-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.17
Rot. Bonds5

About 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137281989) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137281989
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCS(=O)(=O)c1ccc(/N=C(\N)c2c(NC3CCCC3)cc[nH]c2=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-26(24,25)14-8-6-13(7-9-14)22-17(19)16-15(10-11-20-18(16)23)21-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H2,19,22)(H2,20,21,23)
InChIKeySWDMPNZERGYQJW-UHFFFAOYSA-N
XLogP2.17
TPSA117.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide (CID 137281989) is 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide is CS(=O)(=O)c1ccc(/N=C(\N)c2c(NC3CCCC3)cc[nH]c2=O)cc1.
What is the InChIKey of 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is SWDMPNZERGYQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-26(24,25)14-8-6-13(7-9-14)22-17(19)16-15(10-11-20-18(16)23)21-12-4-2-3-5-12/h6-12H,2-5H2,1H3,(H2,19,22)(H2,20,21,23).
What are the key properties of 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 374.47 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N'-(4-methylsulfonylphenyl)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137281989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).