N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

C19H22N4O3S — CID 167967168

IUPACN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCS(=O)(=O)C1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C19H22N4O3S/c24-19(22-11-4-7-16(13-22)15-5-2-1-3-6-15)21-18-8-10-20-23(18)17-9-12-27(25,26)14-17/h1-3,5-8,10,17H,4,9,11-14H2,(H,21,24)
InChIKeyIKOXNJAHIDXWOS-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 167967168) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID167967168
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1ccnn1C1CCS(=O)(=O)C1)N1CCC=C(c2ccccc2)C1
InChIInChI=1S/C19H22N4O3S/c24-19(22-11-4-7-16(13-22)15-5-2-1-3-6-15)21-18-8-10-20-23(18)17-9-12-27(25,26)14-17/h1-3,5-8,10,17H,4,9,11-14H2,(H,21,24)
InChIKeyIKOXNJAHIDXWOS-UHFFFAOYSA-N
XLogP2.56
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 139008471
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CID 139008438
N-(2-cyclopentylpyrazol-3-yl)-1-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
CID 134700952
(E)-N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-3-(5-methylfuran-2-yl)prop-2-enamide
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N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
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CID 124843428
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CID 51145839
oxiran-2-yl-(5-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 154880066
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CID 84734827
N-[2-(2-cyclopropylpyrimidin-5-yl)ethyl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 167967168) is N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1ccnn1C1CCS(=O)(=O)C1)N1CCC=C(c2ccccc2)C1.
What is the InChIKey of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is IKOXNJAHIDXWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c24-19(22-11-4-7-16(13-22)15-5-2-1-3-6-15)21-18-8-10-20-23(18)17-9-12-27(25,26)14-17/h1-3,5-8,10,17H,4,9,11-14H2,(H,21,24).
What are the key properties of N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiolan-3-yl)pyrazol-3-yl]-5-phenyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 167967168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).