N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide

C18H21N3O3S — CID 109156112

IUPACN-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-13(14-5-3-2-4-6-14)20-17-8-7-15(11-19-17)18(22)21-16-9-10-25(23,24)12-16/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyFRSSKBYYWZKKEC-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.17
Rot. Bonds5

About N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109156112) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109156112
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1)c1ccccc1
InChIInChI=1S/C18H21N3O3S/c1-13(14-5-3-2-4-6-14)20-17-8-7-15(11-19-17)18(22)21-16-9-10-25(23,24)12-16/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyFRSSKBYYWZKKEC-UHFFFAOYSA-N
XLogP2.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159361
N-(1,1-dioxothiolan-3-yl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109159362
N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 167783479
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
N-(1,1-dioxothian-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 62169779
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(1,1-dioxothiolan-3-yl)-3-(1-phenylethylamino)propanamide
CID 109020241
6-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159393
N-[(3S)-1,1-dioxothiolan-3-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 7346492
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-(4-acetamidophenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109159319

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide (CID 109156112) is N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide is CC(Nc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1)c1ccccc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is FRSSKBYYWZKKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13(14-5-3-2-4-6-14)20-17-8-7-15(11-19-17)18(22)21-16-9-10-25(23,24)12-16/h2-8,11,13,16H,9-10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.17, 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)-6-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109156112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).