N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide

C18H21N3O4S — CID 87419934

IUPACN-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide
SMILESCOC[C@@H](C)Oc1cc(C(=O)NC(N)=S)cc(Oc2cccc(C)c2)n1
InChIInChI=1S/C18H21N3O4S/c1-11-5-4-6-14(7-11)25-16-9-13(17(22)21-18(19)26)8-15(20-16)24-12(2)10-23-3/h4-9,12H,10H2,1-3H3,(H3,19,21,22,26)/t12-/m1/s1
InChIKeyKEWDLIHZYGJEPS-GFCCVEGCSA-N
MW375.45 g/mol
LogP2.57
Rot. Bonds7

About N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide

N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide (PubChem CID 87419934) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide
PubChem CID87419934
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide
SMILESCOC[C@@H](C)Oc1cc(C(=O)NC(N)=S)cc(Oc2cccc(C)c2)n1
InChIInChI=1S/C18H21N3O4S/c1-11-5-4-6-14(7-11)25-16-9-13(17(22)21-18(19)26)8-15(20-16)24-12(2)10-23-3/h4-9,12H,10H2,1-3H3,(H3,19,21,22,26)/t12-/m1/s1
InChIKeyKEWDLIHZYGJEPS-GFCCVEGCSA-N
XLogP2.57
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(4-piperazin-1-ylsulfonylphenoxy)pyridine-4-carboxamide
CID 143828141
3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide
CID 141115227
N-carbamothioyl-2-propan-2-yloxy-6-[4-(trifluoromethyl)phenoxy]pyridine-4-carboxamide
CID 87419975
2-(4-fluorophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 67489767
2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 67765354
methyl 6-[[2-(4-benzamidophenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylate
CID 143828089
methyl 2-[6-[[2-(4-methoxyphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]-3-pyridinyl]acetate
CID 67765342
2-(1-methoxypropan-2-yloxy)-6-(4-methylsulfinylphenoxy)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 143853410
2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
CID 67489794
2-(1-methoxypropan-2-yloxy)-N-(4-methyl-1,3-thiazol-2-yl)-6-(1-phenylpropan-2-yloxy)pyridine-4-carboxamide
CID 87420038
2-[(2S)-1-methoxypropan-2-yl]oxy-N-(4-methyl-1,3-thiazol-2-yl)-6-propan-2-yloxypyridine-4-carboxamide
CID 143828242
6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489750

Frequently Asked Questions

What is the IUPAC name of N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide?
The IUPAC name of N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide (CID 87419934) is N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide is COC[C@@H](C)Oc1cc(C(=O)NC(N)=S)cc(Oc2cccc(C)c2)n1.
What is the InChIKey of N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide?
The InChIKey is KEWDLIHZYGJEPS-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11-5-4-6-14(7-11)25-16-9-13(17(22)21-18(19)26)8-15(20-16)24-12(2)10-23-3/h4-9,12H,10H2,1-3H3,(H3,19,21,22,26)/t12-/m1/s1.
What are the key properties of N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide?
N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 87419934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).