N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

C24H29FN4O4S — CID 142566456

IUPACN-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESCOc1c(F)cccc1NC(=S)C1=C(NCc2ccncc2OCC(C)(C)OC)CCNC1=O
InChIInChI=1S/C24H29FN4O4S/c1-24(2,32-4)14-33-19-13-26-10-8-15(19)12-28-17-9-11-27-22(30)20(17)23(34)29-18-7-5-6-16(25)21(18)31-3/h5-8,10,13,28H,9,11-12,14H2,1-4H3,(H,27,30)(H,29,34)
InChIKeyIPZWVXVRUDZKST-UHFFFAOYSA-N
MW488.59 g/mol
LogP3.34
Rot. Bonds10

About N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (PubChem CID 142566456) has the molecular formula C24H29FN4O4S and a molecular weight of 488.59 g/mol. Its IUPAC name is N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
PubChem CID142566456
Molecular FormulaC24H29FN4O4S
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC NameN-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESCOc1c(F)cccc1NC(=S)C1=C(NCc2ccncc2OCC(C)(C)OC)CCNC1=O
InChIInChI=1S/C24H29FN4O4S/c1-24(2,32-4)14-33-19-13-26-10-8-15(19)12-28-17-9-11-27-22(30)20(17)23(34)29-18-7-5-6-16(25)21(18)31-3/h5-8,10,13,28H,9,11-12,14H2,1-4H3,(H,27,30)(H,29,34)
InChIKeyIPZWVXVRUDZKST-UHFFFAOYSA-N
XLogP3.34
TPSA93.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The IUPAC name of N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (CID 142566456) is N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.
What is the SMILES notation for N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The canonical SMILES for N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is COc1c(F)cccc1NC(=S)C1=C(NCc2ccncc2OCC(C)(C)OC)CCNC1=O.
What is the InChIKey of N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The InChIKey is IPZWVXVRUDZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O4S/c1-24(2,32-4)14-33-19-13-26-10-8-15(19)12-28-17-9-11-27-22(30)20(17)23(34)29-18-7-5-6-16(25)21(18)31-3/h5-8,10,13,28H,9,11-12,14H2,1-4H3,(H,27,30)(H,29,34).
What are the key properties of N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide has a molecular weight of 488.59 g/mol, XLogP of 3.34, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methoxyphenyl)-4-[[3-(2-methoxy-2-methylpropoxy)-4-pyridinyl]methylamino]-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is sourced from PubChem (CID 142566456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).