N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

C17H18FN3O3S — CID 109211268

IUPACN-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(NCc2ccccc2F)ccn1
InChIInChI=1S/C17H18FN3O3S/c18-15-4-2-1-3-12(15)10-20-13-5-7-19-16(9-13)17(22)21-14-6-8-25(23,24)11-14/h1-5,7,9,14H,6,8,10-11H2,(H,19,20)(H,21,22)
InChIKeyLILJWANKAKWFEO-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.75
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (PubChem CID 109211268) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
PubChem CID109211268
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(NCc2ccccc2F)ccn1
InChIInChI=1S/C17H18FN3O3S/c18-15-4-2-1-3-12(15)10-20-13-5-7-19-16(9-13)17(22)21-14-6-8-25(23,24)11-14/h1-5,7,9,14H,6,8,10-11H2,(H,19,20)(H,21,22)
InChIKeyLILJWANKAKWFEO-UHFFFAOYSA-N
XLogP1.75
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212055
N-(1,1-dioxothiolan-3-yl)-4-(2-fluoroanilino)pyridine-2-carboxamide
CID 109214858
N-(1,1-dioxothiolan-3-yl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109214826
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211275
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
4-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047168
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
N-(1,1-dioxothiolan-3-yl)-4-(2-ethoxyanilino)pyridine-2-carboxamide
CID 109214874
6-[(2-chlorophenyl)methylamino]-N-(1,1-dioxothiolan-3-yl)pyrimidine-4-carboxamide
CID 109348511
methyl 2-[[2-[(1,1-dioxothiolan-3-yl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109214889
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
2-N-(1,1-dioxothiolan-3-yl)-4-N-(3-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088375

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide (CID 109211268) is N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc(NCc2ccccc2F)ccn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
The InChIKey is LILJWANKAKWFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-15-4-2-1-3-12(15)10-20-13-5-7-19-16(9-13)17(22)21-14-6-8-25(23,24)11-14/h1-5,7,9,14H,6,8,10-11H2,(H,19,20)(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109211268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).